2-chloro-N-heptan-2-ylpyridine-4-carboxamide

C13H19ClN2O — CID 60716706

IUPAC2-chloro-N-heptan-2-ylpyridine-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-4-5-6-10(2)16-13(17)11-7-8-15-12(14)9-11/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyBYLCWWAYCLCMQN-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.43
Rot. Bonds6

About 2-chloro-N-heptan-2-ylpyridine-4-carboxamide

2-chloro-N-heptan-2-ylpyridine-4-carboxamide (PubChem CID 60716706) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-N-heptan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-heptan-2-ylpyridine-4-carboxamide
PubChem CID60716706
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-N-heptan-2-ylpyridine-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-4-5-6-10(2)16-13(17)11-7-8-15-12(14)9-11/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyBYLCWWAYCLCMQN-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
2-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 62201408
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
3-[(2-chloropyridine-4-carbonyl)amino]hexanoic acid
CID 103925925
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
CID 99814772
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
5-(heptan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65371017
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753439

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-heptan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-heptan-2-ylpyridine-4-carboxamide (CID 60716706) is 2-chloro-N-heptan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-heptan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-heptan-2-ylpyridine-4-carboxamide is CCCCCC(C)NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-heptan-2-ylpyridine-4-carboxamide?
The InChIKey is BYLCWWAYCLCMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-4-5-6-10(2)16-13(17)11-7-8-15-12(14)9-11/h7-10H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-heptan-2-ylpyridine-4-carboxamide?
2-chloro-N-heptan-2-ylpyridine-4-carboxamide has a molecular weight of 254.76 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-heptan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 60716706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).