N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide

C21H24ClN3O2 — CID 109105660

IUPACN-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1C(=O)c1cncc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C21H24ClN3O2/c1-2-18-8-5-6-10-25(18)21(27)17-11-16(12-23-13-17)20(26)24-14-15-7-3-4-9-19(15)22/h3-4,7,9,11-13,18H,2,5-6,8,10,14H2,1H3,(H,24,26)
InChIKeyIHXIHFXGLJBXSW-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.07
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109105660) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109105660
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1C(=O)c1cncc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C21H24ClN3O2/c1-2-18-8-5-6-10-25(18)21(27)17-11-16(12-23-13-17)20(26)24-14-15-7-3-4-9-19(15)22/h3-4,7,9,11-13,18H,2,5-6,8,10,14H2,1H3,(H,24,26)
InChIKeyIHXIHFXGLJBXSW-UHFFFAOYSA-N
XLogP4.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107432
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107464
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109107451
N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108946579
N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107428
5-(2-ethylpiperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109107457
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109086427
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide (CID 109105660) is N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide is CCC1CCCCN1C(=O)c1cncc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is IHXIHFXGLJBXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-2-18-8-5-6-10-25(18)21(27)17-11-16(12-23-13-17)20(26)24-14-15-7-3-4-9-19(15)22/h3-4,7,9,11-13,18H,2,5-6,8,10,14H2,1H3,(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109105660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).