N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide

C23H19N5O2 — CID 131904395

IUPACN-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCn1ccnc1-c1ccccc1C(=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C23H19N5O2/c1-28-13-12-25-21(28)19-9-2-3-10-20(19)23(30)27-18-8-4-7-17(14-18)26-22(29)16-6-5-11-24-15-16/h2-15H,1H3,(H,26,29)(H,27,30)
InChIKeyLKYXFBFLXCSRHK-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.99
Rot. Bonds5

About N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide

N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 131904395) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID131904395
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCn1ccnc1-c1ccccc1C(=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C23H19N5O2/c1-28-13-12-25-21(28)19-9-2-3-10-20(19)23(30)27-18-8-4-7-17(14-18)26-22(29)16-6-5-11-24-15-16/h2-15H,1H3,(H,26,29)(H,27,30)
InChIKeyLKYXFBFLXCSRHK-UHFFFAOYSA-N
XLogP3.99
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
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CID 131923435
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide
CID 39188157
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide (CID 131904395) is N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide is Cn1ccnc1-c1ccccc1C(=O)Nc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is LKYXFBFLXCSRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-28-13-12-25-21(28)19-9-2-3-10-20(19)23(30)27-18-8-4-7-17(14-18)26-22(29)16-6-5-11-24-15-16/h2-15H,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-methylimidazol-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 131904395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).