6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide

C16H17ClN2O — CID 62233452

IUPAC6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C16H17ClN2O/c1-11-6-3-4-7-13(11)10-12(2)18-16(20)14-8-5-9-15(17)19-14/h3-9,12H,10H2,1-2H3,(H,18,20)
InChIKeyUCGILFAYDBSDNE-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.40
Rot. Bonds4

About 6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide

6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 62233452) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide
PubChem CID62233452
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C16H17ClN2O/c1-11-6-3-4-7-13(11)10-12(2)18-16(20)14-8-5-9-15(17)19-14/h3-9,12H,10H2,1-2H3,(H,18,20)
InChIKeyUCGILFAYDBSDNE-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.40
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

6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
6-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094588
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
6-N-butan-2-yl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109094666
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122
6-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridazine-3-carboxamide
CID 61040940
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62234351
1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
CID 107496790
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 55052492

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide (CID 62233452) is 6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide is Cc1ccccc1CC(C)NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is UCGILFAYDBSDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-6-3-4-7-13(11)10-12(2)18-16(20)14-8-5-9-15(17)19-14/h3-9,12H,10H2,1-2H3,(H,18,20).
What are the key properties of 6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide?
6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-methylphenyl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 62233452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).