4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide

C18H23N3O2 — CID 172669432

IUPAC4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
SMILESCc1cncc(NC(=O)c2c(C)ccn(CCC(C)C)c2=O)c1
InChIInChI=1S/C18H23N3O2/c1-12(2)5-7-21-8-6-14(4)16(18(21)23)17(22)20-15-9-13(3)10-19-11-15/h6,8-12H,5,7H2,1-4H3,(H,20,22)
InChIKeyRKNQYFZBUMSOQP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.16
Rot. Bonds5

About 4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide

4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide (PubChem CID 172669432) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
PubChem CID172669432
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
SMILESCc1cncc(NC(=O)c2c(C)ccn(CCC(C)C)c2=O)c1
InChIInChI=1S/C18H23N3O2/c1-12(2)5-7-21-8-6-14(4)16(18(21)23)17(22)20-15-9-13(3)10-19-11-15/h6,8-12H,5,7H2,1-4H3,(H,20,22)
InChIKeyRKNQYFZBUMSOQP-UHFFFAOYSA-N
XLogP3.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
CID 172665223
4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
CID 172655426
N-(2-hydroxy-6-methylphenyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172665336
N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172668001
N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172671237
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172664011
4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172660059
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172657449
N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172655796
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172666099
4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 172671667

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide (CID 172669432) is 4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide is Cc1cncc(NC(=O)c2c(C)ccn(CCC(C)C)c2=O)c1.
What is the InChIKey of 4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide?
The InChIKey is RKNQYFZBUMSOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(2)5-7-21-8-6-14(4)16(18(21)23)17(22)20-15-9-13(3)10-19-11-15/h6,8-12H,5,7H2,1-4H3,(H,20,22).
What are the key properties of 4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide?
4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172669432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).