6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide

C13H16ClN3O2 — CID 112731614

IUPAC6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)nc1)NC1CC1
InChIInChI=1S/C13H16ClN3O2/c14-11-6-3-9(8-16-11)13(19)15-7-1-2-12(18)17-10-4-5-10/h3,6,8,10H,1-2,4-5,7H2,(H,15,19)(H,17,18)
InChIKeyKYHUGLJQQNWERF-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.52
Rot. Bonds6

About 6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide

6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide (PubChem CID 112731614) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
PubChem CID112731614
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)nc1)NC1CC1
InChIInChI=1S/C13H16ClN3O2/c14-11-6-3-9(8-16-11)13(19)15-7-1-2-12(18)17-10-4-5-10/h3,6,8,10H,1-2,4-5,7H2,(H,15,19)(H,17,18)
InChIKeyKYHUGLJQQNWERF-UHFFFAOYSA-N
XLogP1.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]-4-iodobenzamide
CID 112727989
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
3-bromo-5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]benzamide
CID 103826611
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
4-chloro-N-[4-oxo-4-(pyrrolidin-3-ylamino)butyl]benzamide
CID 119451983
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
N-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-ylamino)-4-oxobutyl]-4-chlorobenzamide
CID 75626484
6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide
CID 46381858
3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide
CID 104742549

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide (CID 112731614) is 6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide is O=C(CCCNC(=O)c1ccc(Cl)nc1)NC1CC1.
What is the InChIKey of 6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
The InChIKey is KYHUGLJQQNWERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-11-6-3-9(8-16-11)13(19)15-7-1-2-12(18)17-10-4-5-10/h3,6,8,10H,1-2,4-5,7H2,(H,15,19)(H,17,18).
What are the key properties of 6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide?
6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 112731614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).