N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C14H17F3N2O3 — CID 111697759

IUPACN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)COCC1CC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)12-4-3-10(5-18-12)13(21)19-6-11(20)8-22-7-9-1-2-9/h3-5,9,11,20H,1-2,6-8H2,(H,19,21)
InChIKeyLNKXGZPDKGVELJ-UHFFFAOYSA-N
MW318.29 g/mol
LogP1.62
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 111697759) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID111697759
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCC(O)COCC1CC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)12-4-3-10(5-18-12)13(21)19-6-11(20)8-22-7-9-1-2-9/h3-5,9,11,20H,1-2,6-8H2,(H,19,21)
InChIKeyLNKXGZPDKGVELJ-UHFFFAOYSA-N
XLogP1.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)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

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
N-(2-hydroxy-3-phenylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111102526
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 111697850
3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
CID 111662976
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 94797817
N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120654191
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 111697762
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111697774
N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119620729
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111103548

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 111697759) is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCC(O)COCC1CC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LNKXGZPDKGVELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)12-4-3-10(5-18-12)13(21)19-6-11(20)8-22-7-9-1-2-9/h3-5,9,11,20H,1-2,6-8H2,(H,19,21).
What are the key properties of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 318.29 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 111697759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).