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

C17H19ClN2O — CID 17328691

IUPAC2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-11(2)13-6-8-14(9-7-13)12(3)20-17(21)15-5-4-10-19-16(15)18/h4-12H,1-3H3,(H,20,21)
InChIKeyKADGNCMXCAFXBT-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.35
Rot. Bonds4

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

2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 17328691) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID17328691
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-11(2)13-6-8-14(9-7-13)12(3)20-17(21)15-5-4-10-19-16(15)18/h4-12H,1-3H3,(H,20,21)
InChIKeyKADGNCMXCAFXBT-UHFFFAOYSA-N
XLogP4.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.35
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-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-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide
CID 60600746
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38920019
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-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide (CID 17328691) is 2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide is CC(C)c1ccc(C(C)NC(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is KADGNCMXCAFXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11(2)13-6-8-14(9-7-13)12(3)20-17(21)15-5-4-10-19-16(15)18/h4-12H,1-3H3,(H,20,21).
What are the key properties of 2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide?
2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 302.81 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 17328691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).