N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide

C20H16ClN3O3 — CID 51003330

IUPACN-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
InChIInChI=1S/C20H16ClN3O3/c1-27-18-8-3-2-6-14(18)19(25)24-16-10-9-13(12-15(16)21)23-20(26)17-7-4-5-11-22-17/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyTVJQXBHBSKEAII-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.25
Rot. Bonds5

About N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide

N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide (PubChem CID 51003330) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide
PubChem CID51003330
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC NameN-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
InChIInChI=1S/C20H16ClN3O3/c1-27-18-8-3-2-6-14(18)19(25)24-16-10-9-13(12-15(16)21)23-20(26)17-7-4-5-11-22-17/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyTVJQXBHBSKEAII-UHFFFAOYSA-N
XLogP4.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
5-chloro-2-methoxy-N-5-quinolinylbenzamide
CID 974232
2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide
CID 2470424
5-chloro-N-(2-chloropyridin-3-yl)-2-methoxybenzamide
CID 3154652
N-((2-chloropyridin-3-yl)carbamothioyl)-2-methoxybenzamide
CID 768734
2-methoxy-N-[4-(4-pyridinylmethyl)phenyl]benzamide
CID 776740
2-phenoxy-N-pyridin-3-ylbenzamide
CID 876892
2-(benzyloxy)-5-chloro-N-pyridin-3-ylbenzamide
CID 6463365
N-[4-[[(2-chlorophenyl)-oxomethyl]amino]-3-methoxyphenyl]-2-pyridinecarboxamide
CID 46869940
N-[3-(4-amino-2-methyl-1,3-benzoxazin-2-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 73353578
2-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911651
2-[(2-chloro-5-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911660

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide (CID 51003330) is N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide is COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide?
The InChIKey is TVJQXBHBSKEAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-18-8-3-2-6-14(18)19(25)24-16-10-9-13(12-15(16)21)23-20(26)17-7-4-5-11-22-17/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2-methoxybenzoyl)amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 51003330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).