N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide

C17H20N4O2 — CID 39193427

IUPACN-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccncc2)cc1NC(=O)CCCN
InChIInChI=1S/C17H20N4O2/c1-12-4-5-14(11-15(12)21-16(22)3-2-8-18)20-17(23)13-6-9-19-10-7-13/h4-7,9-11H,2-3,8,18H2,1H3,(H,20,23)(H,21,22)
InChIKeyIDMBNUKYUVOGAR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.32
Rot. Bonds6

About N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide

N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 39193427) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
PubChem CID39193427
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccncc2)cc1NC(=O)CCCN
InChIInChI=1S/C17H20N4O2/c1-12-4-5-14(11-15(12)21-16(22)3-2-8-18)20-17(23)13-6-9-19-10-7-13/h4-7,9-11H,2-3,8,18H2,1H3,(H,20,23)(H,21,22)
InChIKeyIDMBNUKYUVOGAR-UHFFFAOYSA-N
XLogP2.32
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide
CID 39193137
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-4-chlorobenzamide
CID 82034507
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide
CID 119866426
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
CID 119780750
N-[5-[(3,5-dimethylfuran-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 122146668
[(E)-3-hydroxy-2-[[2-methyl-5-(pyridine-4-carbonylamino)phenyl]carbamoyl]but-2-enylidene]azanium
CID 145051653
N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852084

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide (CID 39193427) is N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccncc2)cc1NC(=O)CCCN.
What is the InChIKey of N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is IDMBNUKYUVOGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-4-5-14(11-15(12)21-16(22)3-2-8-18)20-17(23)13-6-9-19-10-7-13/h4-7,9-11H,2-3,8,18H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide?
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 39193427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).