4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide

C17H19ClN2O — CID 81228566

IUPAC4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCC(C)(C)c2ccccc2)cn1
InChIInChI=1S/C17H19ClN2O/c1-12-9-15(18)14(10-19-12)16(21)20-11-17(2,3)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyPCIMLKAWKNQLIF-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.75
Rot. Bonds4

About 4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide

4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide (PubChem CID 81228566) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
PubChem CID81228566
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCC(C)(C)c2ccccc2)cn1
InChIInChI=1S/C17H19ClN2O/c1-12-9-15(18)14(10-19-12)16(21)20-11-17(2,3)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyPCIMLKAWKNQLIF-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 114037129
5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 60748585
5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 61140358
4-chloro-N-[(2-hydroxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 114331675
2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 115540422
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 114093375
2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 103752335
4-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 107230340
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide (CID 81228566) is 4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCC(C)(C)c2ccccc2)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is PCIMLKAWKNQLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-9-15(18)14(10-19-12)16(21)20-11-17(2,3)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 302.81 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 81228566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).