N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide

C121H143Cl3N24O16 — CID 159718899

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCC)cc2C(=O)Nc2ccccn2)cc1)N(C)C
InChIInChI=1S/C31H37ClN6O4.C31H38N6O4.C30H35ClN6O4.C29H33ClN6O4/c1-4-5-6-7-8-17-34-28(39)20-42-24-14-15-26(25(18-24)31(41)37-27-16-13-23(32)19-35-27)36-30(40)22-11-9-21(10-12-22)29(33)38(2)3;1-4-5-6-7-9-19-34-28(38)21-41-24-16-17-26(25(20-24)31(40)36-27-11-8-10-18-33-27)35-30(39)23-14-12-22(13-15-23)29(32)37(2)3;1-4-5-6-7-16-33-27(38)19-41-23-13-14-25(24(17-23)30(40)36-26-15-12-22(31)18-34-26)35-29(39)21-10-8-20(9-11-21)28(32)37(2)3;1-4-5-6-15-32-26(37)18-40-22-12-13-24(23(16-22)29(39)35-25-14-11-21(30)17-33-25)34-28(38)20-9-7-19(8-10-20)27(31)36(2)3/h9-16,18-19,33H,4-8,17,20H2,1-3H3,(H,34,39)(H,36,40)(H,35,37,41);8,10-18,20,32H,4-7,9,19,21H2,1-3H3,(H,34,38)(H,35,39)(H,33,36,40);8-15,17-18,32H,4-7,16,19H2,1-3H3,(H,33,38)(H,35,39)(H,34,36,40);7-14,16-17,31H,4-6,15,18H2,1-3H3,(H,32,37)(H,34,38)(H,33,35,39)/b33-29-;32-29-;32-28-;31-27-
InChIKeyMZTYBZCULQFKRF-XFIHPAQYSA-N
MW2295.99 g/mol
LogP20.54
Rot. Bonds53

About N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide

N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide (PubChem CID 159718899) has the molecular formula C121H143Cl3N24O16 and a molecular weight of 2295.99 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide
PubChem CID159718899
Molecular FormulaC121H143Cl3N24O16
Molecular Weight2295.99 g/mol
Exact Mass2293.02
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCC)cc2C(=O)Nc2ccccn2)cc1)N(C)C
InChIInChI=1S/C31H37ClN6O4.C31H38N6O4.C30H35ClN6O4.C29H33ClN6O4/c1-4-5-6-7-8-17-34-28(39)20-42-24-14-15-26(25(18-24)31(41)37-27-16-13-23(32)19-35-27)36-30(40)22-11-9-21(10-12-22)29(33)38(2)3;1-4-5-6-7-9-19-34-28(38)21-41-24-16-17-26(25(20-24)31(40)36-27-11-8-10-18-33-27)35-30(39)23-14-12-22(13-15-23)29(32)37(2)3;1-4-5-6-7-16-33-27(38)19-41-23-13-14-25(24(17-23)30(40)36-26-15-12-22(31)18-34-26)35-29(39)21-10-8-20(9-11-21)28(32)37(2)3;1-4-5-6-15-32-26(37)18-40-22-12-13-24(23(16-22)29(39)35-25-14-11-21(30)17-33-25)34-28(38)20-9-7-19(8-10-20)27(31)36(2)3/h9-16,18-19,33H,4-8,17,20H2,1-3H3,(H,34,39)(H,36,40)(H,35,37,41);8,10-18,20,32H,4-7,9,19,21H2,1-3H3,(H,34,38)(H,35,39)(H,33,36,40);8-15,17-18,32H,4-7,16,19H2,1-3H3,(H,33,38)(H,35,39)(H,34,36,40);7-14,16-17,31H,4-6,15,18H2,1-3H3,(H,32,37)(H,34,38)(H,33,35,39)/b33-29-;32-29-;32-28-;31-27-
InChIKeyMZTYBZCULQFKRF-XFIHPAQYSA-N
XLogP20.54
TPSA546.04 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds53
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002295.99
LogP ≤ 520.54
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide (CID 159718899) is N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCC)cc2C(=O)Nc2ccccn2)cc1)N(C)C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide?
The InChIKey is MZTYBZCULQFKRF-XFIHPAQYSA-N. The full InChI is InChI=1S/C31H37ClN6O4.C31H38N6O4.C30H35ClN6O4.C29H33ClN6O4/c1-4-5-6-7-8-17-34-28(39)20-42-24-14-15-26(25(18-24)31(41)37-27-16-13-23(32)19-35-27)36-30(40)22-11-9-21(10-12-22)29(33)38(2)3;1-4-5-6-7-9-19-34-28(38)21-41-24-16-17-26(25(20-24)31(40)36-27-11-8-10-18-33-27)35-30(39)23-14-12-22(13-15-23)29(32)37(2)3;1-4-5-6-7-16-33-27(38)19-41-23-13-14-25(24(17-23)30(40)36-26-15-12-22(31)18-34-26)35-29(39)21-10-8-20(9-11-21)28(32)37(2)3;1-4-5-6-15-32-26(37)18-40-22-12-13-24(23(16-22)29(39)35-25-14-11-21(30)17-33-25)34-28(38)20-9-7-19(8-10-20)27(31)36(2)3/h9-16,18-19,33H,4-8,17,20H2,1-3H3,(H,34,39)(H,36,40)(H,35,37,41);8,10-18,20,32H,4-7,9,19,21H2,1-3H3,(H,34,38)(H,35,39)(H,33,36,40);8-15,17-18,32H,4-7,16,19H2,1-3H3,(H,33,38)(H,35,39)(H,34,36,40);7-14,16-17,31H,4-6,15,18H2,1-3H3,(H,32,37)(H,34,38)(H,33,35,39)/b33-29-;32-29-;32-28-;31-27-.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide?
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide has a molecular weight of 2295.99 g/mol, XLogP of 20.54, 53 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(hexylamino)-2-oxoethoxy]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(pentylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(heptylamino)-2-oxoethoxy]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 159718899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).