N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

C20H24ClN3O — CID 109215433

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)NCCc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C20H24ClN3O/c1-15-3-2-12-24(14-15)18-9-11-22-19(13-18)20(25)23-10-8-16-4-6-17(21)7-5-16/h4-7,9,11,13,15H,2-3,8,10,12,14H2,1H3,(H,23,25)
InChIKeyMOSCDQAQKDGOEV-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.94
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 109215433) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID109215433
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)NCCc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C20H24ClN3O/c1-15-3-2-12-24(14-15)18-9-11-22-19(13-18)20(25)23-10-8-16-4-6-17(21)7-5-16/h4-7,9,11,13,15H,2-3,8,10,12,14H2,1H3,(H,23,25)
InChIKeyMOSCDQAQKDGOEV-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109215435
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109215399
4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207494
N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218235
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109218222
N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218225
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109372214
N-[2-(4-chlorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053930
2-chloro-4-(3-methylpiperidin-1-yl)pyridine
CID 103721685

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (CID 109215433) is N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is CC1CCCN(c2ccnc(C(=O)NCCc3ccc(Cl)cc3)c2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is MOSCDQAQKDGOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-15-3-2-12-24(14-15)18-9-11-22-19(13-18)20(25)23-10-8-16-4-6-17(21)7-5-16/h4-7,9,11,13,15H,2-3,8,10,12,14H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 357.89 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109215433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).