N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C25H22N6O3 — CID 163494503

IUPACN-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4cnn(C)c4)n3)cc2)c1
InChIInChI=1S/C25H22N6O3/c1-16(32)27-21-6-3-5-17(13-21)24(33)28-19-9-11-20(12-10-19)29-25(34)23-8-4-7-22(30-23)18-14-26-31(2)15-18/h3-15H,1-2H3,(H,27,32)(H,28,33)(H,29,34)
InChIKeyCPNOPEYBOOHMJT-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.95
Rot. Bonds6

About N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 163494503) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID163494503
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC NameN-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4cnn(C)c4)n3)cc2)c1
InChIInChI=1S/C25H22N6O3/c1-16(32)27-21-6-3-5-17(13-21)24(33)28-19-9-11-20(12-10-19)29-25(34)23-8-4-7-22(30-23)18-14-26-31(2)15-18/h3-15H,1-2H3,(H,27,32)(H,28,33)(H,29,34)
InChIKeyCPNOPEYBOOHMJT-UHFFFAOYSA-N
XLogP3.95
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246
N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-pyridin-3-ylpyridine-2-carboxamide
CID 134557684
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 117079357
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
CID 28867862
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 47048396
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 163494503) is N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4cnn(C)c4)n3)cc2)c1.
What is the InChIKey of N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is CPNOPEYBOOHMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c1-16(32)27-21-6-3-5-17(13-21)24(33)28-19-9-11-20(12-10-19)29-25(34)23-8-4-7-22(30-23)18-14-26-31(2)15-18/h3-15H,1-2H3,(H,27,32)(H,28,33)(H,29,34).
What are the key properties of N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 163494503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).