6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C18H18F3N3O2 — CID 109153576

IUPAC6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-4-6-14(7-5-13)24-17(25)12-3-8-16(22-10-12)23-11-15-2-1-9-26-15/h3-8,10,15H,1-2,9,11H2,(H,22,23)(H,24,25)
InChIKeyVHISHHCTXJXBJT-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.94
Rot. Bonds5

About 6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109153576) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109153576
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-4-6-14(7-5-13)24-17(25)12-3-8-16(22-10-12)23-11-15-2-1-9-26-15/h3-8,10,15H,1-2,9,11H2,(H,22,23)(H,24,25)
InChIKeyVHISHHCTXJXBJT-UHFFFAOYSA-N
XLogP3.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
3-N-(oxolan-2-ylmethyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109103988
N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153607
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252625
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
2-methyl-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 143457033
2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113010626
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167633
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
4-N-(oxolan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112886786

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109153576) is 6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCC2CCCO2)nc1.
What is the InChIKey of 6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is VHISHHCTXJXBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)13-4-6-14(7-5-13)24-17(25)12-3-8-16(22-10-12)23-11-15-2-1-9-26-15/h3-8,10,15H,1-2,9,11H2,(H,22,23)(H,24,25).
What are the key properties of 6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109153576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).