4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide

C15H14F3N3O2 — CID 133467997

IUPAC4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)9-23-13-4-2-1-3-10(13)7-21-12-5-6-20-8-11(12)14(19)22/h1-6,8H,7,9H2,(H2,19,22)(H,20,21)
InChIKeyDHYBEAHPLVBGFQ-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.73
Rot. Bonds6

About 4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide

4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 133467997) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID133467997
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCc1ccccc1OCC(F)(F)F
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)9-23-13-4-2-1-3-10(13)7-21-12-5-6-20-8-11(12)14(19)22/h1-6,8H,7,9H2,(H2,19,22)(H,20,21)
InChIKeyDHYBEAHPLVBGFQ-UHFFFAOYSA-N
XLogP2.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133468437
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
4-[[2-(4-chlorophenyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133469856
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133469822
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
(2S)-2-amino-3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 119744415
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 43277259
4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide
CID 123575616
4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133468564
4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133470671
2-chloro-3-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 142796514

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide (CID 133467997) is 4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide is NC(=O)c1cnccc1NCc1ccccc1OCC(F)(F)F.
What is the InChIKey of 4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is DHYBEAHPLVBGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)9-23-13-4-2-1-3-10(13)7-21-12-5-6-20-8-11(12)14(19)22/h1-6,8H,7,9H2,(H2,19,22)(H,20,21).
What are the key properties of 4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide?
4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133467997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).