N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H14F3N3O2 — CID 86925855

IUPACN-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1OCC(F)(F)F)c1ccncc1
InChIInChI=1S/C15H14F3N3O2/c1-10(11-4-7-19-8-5-11)21-13(22)12-3-2-6-20-14(12)23-9-15(16,17)18/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyDVWFLKMRUJFRCW-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.91
Rot. Bonds5

About N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 86925855) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID86925855
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1OCC(F)(F)F)c1ccncc1
InChIInChI=1S/C15H14F3N3O2/c1-10(11-4-7-19-8-5-11)21-13(22)12-3-2-6-20-14(12)23-9-15(16,17)18/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyDVWFLKMRUJFRCW-UHFFFAOYSA-N
XLogP2.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)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

Related Compounds

2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 55069299
2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
CID 81410693
(2S)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]hexanoic acid
CID 120615249
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 111447628
N-(3-propan-2-yloxypropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86926030
ethyl N-[4-methyl-1-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pentan-2-yl]carbamate
CID 46483038
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 114343947
N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31884754
N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 31853242
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
CID 62876323

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 86925855) is N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(NC(=O)c1cccnc1OCC(F)(F)F)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is DVWFLKMRUJFRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-10(11-4-7-19-8-5-11)21-13(22)12-3-2-6-20-14(12)23-9-15(16,17)18/h2-8,10H,9H2,1H3,(H,21,22).
What are the key properties of N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 86925855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).