5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C15H21ClN2O2 — CID 47436658

IUPAC5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC1CCC(CNC(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-2-10-3-5-11(6-4-10)8-17-14(19)12-7-13(16)15(20)18-9-12/h7,9-11H,2-6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyKNWIZTGJAQDAKH-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.97
Rot. Bonds4

About 5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47436658) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47436658
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC1CCC(CNC(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-2-10-3-5-11(6-4-10)8-17-14(19)12-7-13(16)15(20)18-9-12/h7,9-11H,2-6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyKNWIZTGJAQDAKH-UHFFFAOYSA-N
XLogP2.97
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 47436658) is 5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is CCC1CCC(CNC(=O)c2c[nH]c(=O)c(Cl)c2)CC1.
What is the InChIKey of 5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KNWIZTGJAQDAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-10-3-5-11(6-4-10)8-17-14(19)12-7-13(16)15(20)18-9-12/h7,9-11H,2-6,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47436658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).