N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide

C21H18N4O3 — CID 108925269

IUPACN-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C21H18N4O3/c26-19(14-23-20(27)15-7-2-1-3-8-15)24-17-10-4-5-11-18(17)25-21(28)16-9-6-12-22-13-16/h1-13H,14H2,(H,23,27)(H,24,26)(H,25,28)
InChIKeyNULNXKAQNLAALF-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.70
Rot. Bonds6

About N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide

N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 108925269) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID108925269
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C21H18N4O3/c26-19(14-23-20(27)15-7-2-1-3-8-15)24-17-10-4-5-11-18(17)25-21(28)16-9-6-12-22-13-16/h1-13H,14H2,(H,23,27)(H,24,26)(H,25,28)
InChIKeyNULNXKAQNLAALF-UHFFFAOYSA-N
XLogP2.70
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705466
N-[2-(3-methoxypropanoylamino)phenyl]pyridine-3-carboxamide
CID 108925343
N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 108925345
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide (CID 108925269) is N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide is O=C(CNC(=O)c1ccccc1)Nc1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is NULNXKAQNLAALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-19(14-23-20(27)15-7-2-1-3-8-15)24-17-10-4-5-11-18(17)25-21(28)16-9-6-12-22-13-16/h1-13H,14H2,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide?
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).