N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C18H28N2O2 — CID 46995206

IUPACN-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)N(C(=O)c1ccc(C)[nH]c1=O)C1CCCCCC1
InChIInChI=1S/C18H28N2O2/c1-4-14(3)20(15-9-7-5-6-8-10-15)18(22)16-12-11-13(2)19-17(16)21/h11-12,14-15H,4-10H2,1-3H3,(H,19,21)
InChIKeyNZXJKAPUKSIAAI-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.65
Rot. Bonds4

About N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 46995206) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID46995206
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)N(C(=O)c1ccc(C)[nH]c1=O)C1CCCCCC1
InChIInChI=1S/C18H28N2O2/c1-4-14(3)20(15-9-7-5-6-8-10-15)18(22)16-12-11-13(2)19-17(16)21/h11-12,14-15H,4-10H2,1-3H3,(H,19,21)
InChIKeyNZXJKAPUKSIAAI-UHFFFAOYSA-N
XLogP3.65
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 46995206) is N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide is CCC(C)N(C(=O)c1ccc(C)[nH]c1=O)C1CCCCCC1.
What is the InChIKey of N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NZXJKAPUKSIAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-14(3)20(15-9-7-5-6-8-10-15)18(22)16-12-11-13(2)19-17(16)21/h11-12,14-15H,4-10H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-cycloheptyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46995206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).