4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide

C21H24ClN3O2 — CID 87026950

IUPAC4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C21H24ClN3O2/c1-13-8-14(2)12-25(11-13)21(27)16-5-4-15(3)18(9-16)24-20(26)19-10-17(22)6-7-23-19/h4-7,9-10,13-14H,8,11-12H2,1-3H3,(H,24,26)
InChIKeyHJJBZSGGGXHKFC-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.41
Rot. Bonds3

About 4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide

4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 87026950) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide
PubChem CID87026950
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C21H24ClN3O2/c1-13-8-14(2)12-25(11-13)21(27)16-5-4-15(3)18(9-16)24-20(26)19-10-17(22)6-7-23-19/h4-7,9-10,13-14H,8,11-12H2,1-3H3,(H,24,26)
InChIKeyHJJBZSGGGXHKFC-UHFFFAOYSA-N
XLogP4.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 71684974
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090311
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 60534600
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-5-methoxybenzamide
CID 112846199
4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 47047464
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-3-methoxybenzamide
CID 112846190
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078715
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55895763
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(1H-imidazol-2-ylmethylamino)-4-methylphenyl]methanone
CID 97236628

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide (CID 87026950) is 4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide?
The InChIKey is HJJBZSGGGXHKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-13-8-14(2)12-25(11-13)21(27)16-5-4-15(3)18(9-16)24-20(26)19-10-17(22)6-7-23-19/h4-7,9-10,13-14H,8,11-12H2,1-3H3,(H,24,26).
What are the key properties of 4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide?
4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 87026950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).