N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide

C20H16ClN3O2 — CID 108925476

IUPACN-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O2/c21-17-7-5-15(6-8-17)19(25)23-12-14-3-9-18(10-4-14)24-20(26)16-2-1-11-22-13-16/h1-11,13H,12H2,(H,23,25)(H,24,26)
InChIKeyLJDLJGRORKKPMN-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.92
Rot. Bonds5

About N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide

N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925476) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925476
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC NameN-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O2/c21-17-7-5-15(6-8-17)19(25)23-12-14-3-9-18(10-4-14)24-20(26)16-2-1-11-22-13-16/h1-11,13H,12H2,(H,23,25)(H,24,26)
InChIKeyLJDLJGRORKKPMN-UHFFFAOYSA-N
XLogP3.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925692
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
4-N-(3-chloro-4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047685
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925705
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 108925476) is N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide is O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is LJDLJGRORKKPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-17-7-5-15(6-8-17)19(25)23-12-14-3-9-18(10-4-14)24-20(26)16-2-1-11-22-13-16/h1-11,13H,12H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).