2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide

C27H31N5O3 — CID 90265466

IUPAC2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCCCCC)cc2C(=O)Nc2ccccn2)cc1)N(C)C
InChIInChI=1S/C27H31N5O3/c1-4-5-8-17-35-21-14-15-23(22(18-21)27(34)31-24-9-6-7-16-29-24)30-26(33)20-12-10-19(11-13-20)25(28)32(2)3/h6-7,9-16,18,28H,4-5,8,17H2,1-3H3,(H,30,33)(H,29,31,34)/b28-25-
InChIKeyZAIWHRWVLJIIMX-FVDSYPCUSA-N
MW473.58 g/mol
LogP5.04
Rot. Bonds10

About 2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide

2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide (PubChem CID 90265466) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide
PubChem CID90265466
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(OCCCCC)cc2C(=O)Nc2ccccn2)cc1)N(C)C
InChIInChI=1S/C27H31N5O3/c1-4-5-8-17-35-21-14-15-23(22(18-21)27(34)31-24-9-6-7-16-29-24)30-26(33)20-12-10-19(11-13-20)25(28)32(2)3/h6-7,9-16,18,28H,4-5,8,17H2,1-3H3,(H,30,33)(H,29,31,34)/b28-25-
InChIKeyZAIWHRWVLJIIMX-FVDSYPCUSA-N
XLogP5.04
TPSA107.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide
CID 157486493
N-[4-(4-aminobutoxy)-2-[hydroxy-(pyridin-2-ylamino)methyl]phenyl]-4-(N,N-dimethylcarbamimidoyl)benzamide
CID 166866389
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide
CID 157411436
N-(5-chloro-2-pyridinyl)-5-(hydroxymethyl)-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide;2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(hydroxymethyl)-N-pyridin-2-ylbenzamide
CID 160503015
methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 90266337
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide
CID 147045425
2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane
CID 161120671
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide;(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 16718249
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(N-ethyl-N-methylcarbamimidoyl)benzoyl]amino]benzamide
CID 44565603
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-[6-(2,2,4-trimethylpentanoylamino)hexylamino]ethoxy]benzamide
CID 129106452
methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate
CID 21021794

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide (CID 90265466) is 2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(OCCCCC)cc2C(=O)Nc2ccccn2)cc1)N(C)C.
What is the InChIKey of 2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide?
The InChIKey is ZAIWHRWVLJIIMX-FVDSYPCUSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-4-5-8-17-35-21-14-15-23(22(18-21)27(34)31-24-9-6-7-16-29-24)30-26(33)20-12-10-19(11-13-20)25(28)32(2)3/h6-7,9-16,18,28H,4-5,8,17H2,1-3H3,(H,30,33)(H,29,31,34)/b28-25-.
What are the key properties of 2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide?
2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide has a molecular weight of 473.58 g/mol, XLogP of 5.04, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 90265466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).