N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide

C68H83ClN12O10 — CID 157486492

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC(=O)CC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC(=O)CC)cc2C(=O)Nc2ccccn2)cc1)N(C)C
InChIInChI=1S/C34H41ClN6O5.C34H42N6O5/c1-4-26(42)10-8-6-5-7-9-19-37-31(43)22-46-27-16-17-29(28(20-27)34(45)40-30-18-15-25(35)21-38-30)39-33(44)24-13-11-23(12-14-24)32(36)41(2)3;1-4-26(41)12-8-6-5-7-10-21-37-31(42)23-45-27-18-19-29(28(22-27)34(44)39-30-13-9-11-20-36-30)38-33(43)25-16-14-24(15-17-25)32(35)40(2)3/h11-18,20-21,36H,4-10,19,22H2,1-3H3,(H,37,43)(H,39,44)(H,38,40,45);9,11,13-20,22,35H,4-8,10,12,21,23H2,1-3H3,(H,37,42)(H,38,43)(H,36,39,44)/b36-32-;35-32-
InChIKeyBWTUFNQBJKNAMI-SERJKFFRSA-N
MW1263.94 g/mol
LogP11.23
Rot. Bonds34

About N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide

N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide (PubChem CID 157486492) has the molecular formula C68H83ClN12O10 and a molecular weight of 1263.94 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide
PubChem CID157486492
Molecular FormulaC68H83ClN12O10
Molecular Weight1263.94 g/mol
Exact Mass1262.60
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC(=O)CC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC(=O)CC)cc2C(=O)Nc2ccccn2)cc1)N(C)C
InChIInChI=1S/C34H41ClN6O5.C34H42N6O5/c1-4-26(42)10-8-6-5-7-9-19-37-31(43)22-46-27-16-17-29(28(20-27)34(45)40-30-18-15-25(35)21-38-30)39-33(44)24-13-11-23(12-14-24)32(36)41(2)3;1-4-26(41)12-8-6-5-7-10-21-37-31(42)23-45-27-18-19-29(28(22-27)34(44)39-30-13-9-11-20-36-30)38-33(43)25-16-14-24(15-17-25)32(35)40(2)3/h11-18,20-21,36H,4-10,19,22H2,1-3H3,(H,37,43)(H,39,44)(H,38,40,45);9,11,13-20,22,35H,4-8,10,12,21,23H2,1-3H3,(H,37,42)(H,38,43)(H,36,39,44)/b36-32-;35-32-
InChIKeyBWTUFNQBJKNAMI-SERJKFFRSA-N
XLogP11.23
TPSA307.16 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001263.94
LogP ≤ 511.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

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-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-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-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide (CID 157486492) is N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC(=O)CC)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCC(=O)NCCCCCCCC(=O)CC)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-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide?
The InChIKey is BWTUFNQBJKNAMI-SERJKFFRSA-N. The full InChI is InChI=1S/C34H41ClN6O5.C34H42N6O5/c1-4-26(42)10-8-6-5-7-9-19-37-31(43)22-46-27-16-17-29(28(20-27)34(45)40-30-18-15-25(35)21-38-30)39-33(44)24-13-11-23(12-14-24)32(36)41(2)3;1-4-26(41)12-8-6-5-7-10-21-37-31(42)23-45-27-18-19-29(28(22-27)34(44)39-30-13-9-11-20-36-30)38-33(43)25-16-14-24(15-17-25)32(35)40(2)3/h11-18,20-21,36H,4-10,19,22H2,1-3H3,(H,37,43)(H,39,44)(H,38,40,45);9,11,13-20,22,35H,4-8,10,12,21,23H2,1-3H3,(H,37,42)(H,38,43)(H,36,39,44)/b36-32-;35-32-.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide?
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide has a molecular weight of 1263.94 g/mol, XLogP of 11.23, 34 rotatable bonds, 8 hydrogen bond donors, and 14 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-oxo-2-(8-oxodecylamino)ethoxy]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 157486492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).