3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide

C19H27N3O2 — CID 46570578

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C19H27N3O2/c1-13-16(14(2)21-19(24)17(13)11-20)9-10-18(23)22(3)12-15-7-5-4-6-8-15/h15H,4-10,12H2,1-3H3,(H,21,24)
InChIKeyJOGAYUFCWFRYPE-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.83
Rot. Bonds5

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide (PubChem CID 46570578) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide
PubChem CID46570578
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC1CCCCC1
InChIInChI=1S/C19H27N3O2/c1-13-16(14(2)21-19(24)17(13)11-20)9-10-18(23)22(3)12-15-7-5-4-6-8-15/h15H,4-10,12H2,1-3H3,(H,21,24)
InChIKeyJOGAYUFCWFRYPE-UHFFFAOYSA-N
XLogP2.83
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide (CID 46570578) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC1CCCCC1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide?
The InChIKey is JOGAYUFCWFRYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-16(14(2)21-19(24)17(13)11-20)9-10-18(23)22(3)12-15-7-5-4-6-8-15/h15H,4-10,12H2,1-3H3,(H,21,24).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide has a molecular weight of 329.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(cyclohexylmethyl)-N-methylpropanamide is sourced from PubChem (CID 46570578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).