2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide

C14H21ClN2O — CID 113379713

IUPAC2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C14H21ClN2O/c1-9(2)5-6-16-14(18)11-7-12(10(3)4)17-13(15)8-11/h7-10H,5-6H2,1-4H3,(H,16,18)
InChIKeyHNUDRPPOGUIZEH-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.63
Rot. Bonds5

About 2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 113379713) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
PubChem CID113379713
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C14H21ClN2O/c1-9(2)5-6-16-14(18)11-7-12(10(3)4)17-13(15)8-11/h7-10H,5-6H2,1-4H3,(H,16,18)
InChIKeyHNUDRPPOGUIZEH-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379798
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379816
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033510
2-chloro-N-(2-cyanopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379908
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
2-chloro-N-(2-methylpentan-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379873
(2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]butanoic acid
CID 114037087
2-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106249808
methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379820
2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 114202175

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide (CID 113379713) is 2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide is CC(C)CCNC(=O)c1cc(Cl)nc(C(C)C)c1.
What is the InChIKey of 2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is HNUDRPPOGUIZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9(2)5-6-16-14(18)11-7-12(10(3)4)17-13(15)8-11/h7-10H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 268.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 113379713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).