N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide

C16H17N3O2 — CID 46761053

IUPACN-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(NC(=O)c2ccncc2)ccc1C
InChIInChI=1S/C16H17N3O2/c1-3-15(20)19-14-10-13(5-4-11(14)2)18-16(21)12-6-8-17-9-7-12/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyNRBLHNZSXSDHEI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.99
Rot. Bonds4

About N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide

N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide (PubChem CID 46761053) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
PubChem CID46761053
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(NC(=O)c2ccncc2)ccc1C
InChIInChI=1S/C16H17N3O2/c1-3-15(20)19-14-10-13(5-4-11(14)2)18-16(21)12-6-8-17-9-7-12/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyNRBLHNZSXSDHEI-UHFFFAOYSA-N
XLogP2.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
CID 39193427
3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
CID 55724997
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852084
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[5-[(3,5-dimethylfuran-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 122146668
3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide
CID 46761087
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide (CID 46761053) is N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide is CCC(=O)Nc1cc(NC(=O)c2ccncc2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide?
The InChIKey is NRBLHNZSXSDHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-15(20)19-14-10-13(5-4-11(14)2)18-16(21)12-6-8-17-9-7-12/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide?
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 46761053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).