1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide

C18H30N2O2 — CID 77079324

IUPAC1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(C(C)C)n(C)c1=O
InChIInChI=1S/C18H30N2O2/c1-12(2)10-20(11-13(3)4)18(22)15-8-9-16(14(5)6)19(7)17(15)21/h8-9,12-14H,10-11H2,1-7H3
InChIKeyZHEMRJQGRMYIAU-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.26
Rot. Bonds6

About 1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide

1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide (PubChem CID 77079324) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide
PubChem CID77079324
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(C(C)C)n(C)c1=O
InChIInChI=1S/C18H30N2O2/c1-12(2)10-20(11-13(3)4)18(22)15-8-9-16(14(5)6)19(7)17(15)21/h8-9,12-14H,10-11H2,1-7H3
InChIKeyZHEMRJQGRMYIAU-UHFFFAOYSA-N
XLogP3.26
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide (CID 77079324) is 1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide is CC(C)CN(CC(C)C)C(=O)c1ccc(C(C)C)n(C)c1=O.
What is the InChIKey of 1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The InChIKey is ZHEMRJQGRMYIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-12(2)10-20(11-13(3)4)18(22)15-8-9-16(14(5)6)19(7)17(15)21/h8-9,12-14H,10-11H2,1-7H3.
What are the key properties of 1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N,N-bis(2-methylpropyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 77079324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).