2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide

C15H19ClN2O — CID 114202175

IUPAC2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide
SMILESC#CC(NC(=O)c1cc(Cl)nc(C(C)C)c1)C(C)C
InChIInChI=1S/C15H19ClN2O/c1-6-12(9(2)3)18-15(19)11-7-13(10(4)5)17-14(16)8-11/h1,7-10,12H,2-5H3,(H,18,19)
InChIKeyIVMYPIACUUOFBZ-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.25
Rot. Bonds4

About 2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 114202175) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide
PubChem CID114202175
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide
SMILESC#CC(NC(=O)c1cc(Cl)nc(C(C)C)c1)C(C)C
InChIInChI=1S/C15H19ClN2O/c1-6-12(9(2)3)18-15(19)11-7-13(10(4)5)17-14(16)8-11/h1,7-10,12H,2-5H3,(H,18,19)
InChIKeyIVMYPIACUUOFBZ-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-pent-1-yn-3-yl-6-propan-2-ylpyridine-4-carboxamide
CID 106228697
methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379820
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
2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
CID 115661799
2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide
CID 107856629
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
2-chloro-N-(2-cyanopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379908
2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide
CID 103579292
2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 106153622
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104
2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379798

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide (CID 114202175) is 2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide is C#CC(NC(=O)c1cc(Cl)nc(C(C)C)c1)C(C)C.
What is the InChIKey of 2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is IVMYPIACUUOFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-6-12(9(2)3)18-15(19)11-7-13(10(4)5)17-14(16)8-11/h1,7-10,12H,2-5H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 278.78 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 114202175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).