N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide

C15H19F3N2O2 — CID 71859348

IUPACN-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(CCC(F)(F)F)CC2CC2)c(=O)[nH]1
InChIInChI=1S/C15H19F3N2O2/c1-9-7-10(2)19-13(21)12(9)14(22)20(8-11-3-4-11)6-5-15(16,17)18/h7,11H,3-6,8H2,1-2H3,(H,19,21)
InChIKeyAQRXURLRNZKLFW-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.80
Rot. Bonds5

About N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide

N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide (PubChem CID 71859348) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
PubChem CID71859348
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(CCC(F)(F)F)CC2CC2)c(=O)[nH]1
InChIInChI=1S/C15H19F3N2O2/c1-9-7-10(2)19-13(21)12(9)14(22)20(8-11-3-4-11)6-5-15(16,17)18/h7,11H,3-6,8H2,1-2H3,(H,19,21)
InChIKeyAQRXURLRNZKLFW-UHFFFAOYSA-N
XLogP2.80
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide (CID 71859348) is N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)N(CCC(F)(F)F)CC2CC2)c(=O)[nH]1.
What is the InChIKey of N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
The InChIKey is AQRXURLRNZKLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-9-7-10(2)19-13(21)12(9)14(22)20(8-11-3-4-11)6-5-15(16,17)18/h7,11H,3-6,8H2,1-2H3,(H,19,21).
What are the key properties of N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4,6-dimethyl-2-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71859348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).