2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide

C17H17N3O3 — CID 134870273

IUPAC2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide
SMILESCCCC(=O)c1ccccc1C(=O)Nc1ncccc1C(N)=O
InChIInChI=1S/C17H17N3O3/c1-2-6-14(21)11-7-3-4-8-12(11)17(23)20-16-13(15(18)22)9-5-10-19-16/h3-5,7-10H,2,6H2,1H3,(H2,18,22)(H,19,20,23)
InChIKeySVZXAPZSOAEBNJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.42
Rot. Bonds6

About 2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide

2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide (PubChem CID 134870273) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide
PubChem CID134870273
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide
SMILESCCCC(=O)c1ccccc1C(=O)Nc1ncccc1C(N)=O
InChIInChI=1S/C17H17N3O3/c1-2-6-14(21)11-7-3-4-8-12(11)17(23)20-16-13(15(18)22)9-5-10-19-16/h3-5,7-10H,2,6H2,1H3,(H2,18,22)(H,19,20,23)
InChIKeySVZXAPZSOAEBNJ-UHFFFAOYSA-N
XLogP2.42
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methylamino)-3-pyridinyl]butan-1-one
CID 59932550
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-(methylcarbamoylamino)pyridine-3-carboxamide
CID 88995807
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
1-(2-bromo-3-pyridinyl)butan-1-one
CID 14343356
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-hydrazinyl-N-(3-methyl-2-pyridinyl)benzamide
CID 62236931
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide (CID 134870273) is 2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide is CCCC(=O)c1ccccc1C(=O)Nc1ncccc1C(N)=O.
What is the InChIKey of 2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide?
The InChIKey is SVZXAPZSOAEBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-6-14(21)11-7-3-4-8-12(11)17(23)20-16-13(15(18)22)9-5-10-19-16/h3-5,7-10H,2,6H2,1H3,(H2,18,22)(H,19,20,23).
What are the key properties of 2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide?
2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 134870273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).