6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide

C20H29ClN4O2 — CID 46381858

IUPAC6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1CCN(C(=O)NC2CCCCC2)CC1)c1ccc(Cl)nc1
InChIInChI=1S/C20H29ClN4O2/c21-18-7-6-16(14-23-18)19(26)22-11-8-15-9-12-25(13-10-15)20(27)24-17-4-2-1-3-5-17/h6-7,14-15,17H,1-5,8-13H2,(H,22,26)(H,24,27)
InChIKeyYYKPSHGGAVEWOE-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.61
Rot. Bonds5

About 6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide

6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide (PubChem CID 46381858) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide
PubChem CID46381858
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1CCN(C(=O)NC2CCCCC2)CC1)c1ccc(Cl)nc1
InChIInChI=1S/C20H29ClN4O2/c21-18-7-6-16(14-23-18)19(26)22-11-8-15-9-12-25(13-10-15)20(27)24-17-4-2-1-3-5-17/h6-7,14-15,17H,1-5,8-13H2,(H,22,26)(H,24,27)
InChIKeyYYKPSHGGAVEWOE-UHFFFAOYSA-N
XLogP3.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-[2-[(4-ethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
CID 46381876
N-cyclohexyl-4-[2-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 46381865
N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide
CID 173155726
6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 112731614
4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide
CID 91280073
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161
N-cyclohexyl-4-[2-(2-methylpropylcarbamoylamino)ethyl]piperidine-1-carboxamide
CID 46381834
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121
N-cyclohexyl-4-[[[4-(dodecylcarbamoyl)phenyl]methylamino]methyl]piperidine-1-carboxamide
CID 141123264
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide (CID 46381858) is 6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide is O=C(NCCC1CCN(C(=O)NC2CCCCC2)CC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is YYKPSHGGAVEWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c21-18-7-6-16(14-23-18)19(26)22-11-8-15-9-12-25(13-10-15)20(27)24-17-4-2-1-3-5-17/h6-7,14-15,17H,1-5,8-13H2,(H,22,26)(H,24,27).
What are the key properties of 6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide?
6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 392.93 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[1-(cyclohexylcarbamoyl)piperidin-4-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 46381858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).