6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide

C15H21ClN2O — CID 47298591

IUPAC6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCCC1CCC(CNC(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-2-11-3-5-12(6-4-11)9-18-15(19)13-7-8-14(16)17-10-13/h7-8,10-12H,2-6,9H2,1H3,(H,18,19)
InChIKeyMFNWQFUHOBFZAK-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.68
Rot. Bonds4

About 6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide

6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 47298591) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID47298591
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCCC1CCC(CNC(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-2-11-3-5-12(6-4-11)9-18-15(19)13-7-8-14(16)17-10-13/h7-8,10-12H,2-6,9H2,1H3,(H,18,19)
InChIKeyMFNWQFUHOBFZAK-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63482413
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79359056
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814
3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide
CID 47441341
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
CID 106127191
6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115591200
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
6-chloro-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-3-carboxamide
CID 63295326
6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726
4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide
CID 107074297
6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
CID 54908916

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide (CID 47298591) is 6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide is CCC1CCC(CNC(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of 6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is MFNWQFUHOBFZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-11-3-5-12(6-4-11)9-18-15(19)13-7-8-14(16)17-10-13/h7-8,10-12H,2-6,9H2,1H3,(H,18,19).
What are the key properties of 6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide?
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 47298591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).