2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide

C15H14Cl2N2O — CID 91421539

IUPAC2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1ccc(Cl)nc1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c1-10(2)19(11-6-4-3-5-7-11)15(20)12-8-9-13(16)18-14(12)17/h3-10H,1-2H3
InChIKeyRNISJQNVBYZOLS-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.44
Rot. Bonds3

About 2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide

2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 91421539) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID91421539
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1ccc(Cl)nc1Cl)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c1-10(2)19(11-6-4-3-5-7-11)15(20)12-8-9-13(16)18-14(12)17/h3-10H,1-2H3
InChIKeyRNISJQNVBYZOLS-UHFFFAOYSA-N
XLogP4.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide
CID 52663224
2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide
CID 91395635
2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 113228634
2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 113228638
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
N-propan-2-yl-N-pyridin-4-ylbenzamide
CID 11042850
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 113228627
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
2-[benzyl(propan-2-yl)amino]-6-chloropyridine-3-carboxylic acid
CID 63376936
N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
CID 134393571
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
2,6-dichloropyridine-3-carboxamide
CID 22142778

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide (CID 91421539) is 2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(C(=O)c1ccc(Cl)nc1Cl)c1ccccc1.
What is the InChIKey of 2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RNISJQNVBYZOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-10(2)19(11-6-4-3-5-7-11)15(20)12-8-9-13(16)18-14(12)17/h3-10H,1-2H3.
What are the key properties of 2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide?
2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 91421539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).