2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide

C19H23ClN2O — CID 60600746

IUPAC2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)c2cccnc2Cl)C(C)C)cc1
InChIInChI=1S/C19H23ClN2O/c1-12(2)14-7-9-15(10-8-14)17(13(3)4)22-19(23)16-6-5-11-21-18(16)20/h5-13,17H,1-4H3,(H,22,23)
InChIKeySSQYGLFKVNRIBR-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.99
Rot. Bonds5

About 2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide

2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide (PubChem CID 60600746) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide
PubChem CID60600746
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)c2cccnc2Cl)C(C)C)cc1
InChIInChI=1S/C19H23ClN2O/c1-12(2)14-7-9-15(10-8-14)17(13(3)4)22-19(23)16-6-5-11-21-18(16)20/h5-13,17H,1-4H3,(H,22,23)
InChIKeySSQYGLFKVNRIBR-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.99
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-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 17328691
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 16563602
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 60737127
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
CID 17326874
2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 61073257
2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 62722481
2-chloro-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63836533
2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 61479880
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
2-ethoxy-N-[1-(4-ethylphenyl)-2-methylpropyl]pyridine-3-carboxamide
CID 18289216

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide (CID 60600746) is 2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide is CC(C)c1ccc(C(NC(=O)c2cccnc2Cl)C(C)C)cc1.
What is the InChIKey of 2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide?
The InChIKey is SSQYGLFKVNRIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-12(2)14-7-9-15(10-8-14)17(13(3)4)22-19(23)16-6-5-11-21-18(16)20/h5-13,17H,1-4H3,(H,22,23).
What are the key properties of 2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide?
2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide has a molecular weight of 330.86 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 60600746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).