5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide

C18H23N3O2 — CID 167880621

IUPAC5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C#N)c(=O)[nH]c1C(=O)NCC(C1CCC1)C1CCC1
InChIInChI=1S/C18H23N3O2/c1-11-8-14(9-19)17(22)21-16(11)18(23)20-10-15(12-4-2-5-12)13-6-3-7-13/h8,12-13,15H,2-7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLMXIXNJMOLTGFL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.50
Rot. Bonds5

About 5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide

5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 167880621) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide
PubChem CID167880621
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C#N)c(=O)[nH]c1C(=O)NCC(C1CCC1)C1CCC1
InChIInChI=1S/C18H23N3O2/c1-11-8-14(9-19)17(22)21-16(11)18(23)20-10-15(12-4-2-5-12)13-6-3-7-13/h8,12-13,15H,2-7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLMXIXNJMOLTGFL-UHFFFAOYSA-N
XLogP2.50
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide
CID 136556736

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide (CID 167880621) is 5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide is Cc1cc(C#N)c(=O)[nH]c1C(=O)NCC(C1CCC1)C1CCC1.
What is the InChIKey of 5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is LMXIXNJMOLTGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11-8-14(9-19)17(22)21-16(11)18(23)20-10-15(12-4-2-5-12)13-6-3-7-13/h8,12-13,15H,2-7,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2,2-di(cyclobutyl)ethyl]-3-methyl-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 167880621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).