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

C16H17ClN4O2 — CID 39193137

IUPACN-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide
SMILESNCCCC(=O)Nc1cc(NC(=O)c2ccncc2)ccc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-13-4-3-12(10-14(13)21-15(22)2-1-7-18)20-16(23)11-5-8-19-9-6-11/h3-6,8-10H,1-2,7,18H2,(H,20,23)(H,21,22)
InChIKeyUXBHYGWPWHYBDR-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.66
Rot. Bonds6

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

N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide (PubChem CID 39193137) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide
PubChem CID39193137
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide
SMILESNCCCC(=O)Nc1cc(NC(=O)c2ccncc2)ccc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-13-4-3-12(10-14(13)21-15(22)2-1-7-18)20-16(23)11-5-8-19-9-6-11/h3-6,8-10H,1-2,7,18H2,(H,20,23)(H,21,22)
InChIKeyUXBHYGWPWHYBDR-UHFFFAOYSA-N
XLogP2.66
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
CID 39193427
N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119280748
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide
CID 39193126
N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
CID 119707605
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]-4-methylbenzamide
CID 82034457
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
CID 119322335
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide (CID 39193137) is N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide is NCCCC(=O)Nc1cc(NC(=O)c2ccncc2)ccc1Cl.
What is the InChIKey of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide?
The InChIKey is UXBHYGWPWHYBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-13-4-3-12(10-14(13)21-15(22)2-1-7-18)20-16(23)11-5-8-19-9-6-11/h3-6,8-10H,1-2,7,18H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide?
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.66, 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-chlorophenyl]pyridine-4-carboxamide is sourced from PubChem (CID 39193137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).