N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide

C16H14F3N3O4 — CID 54425094

IUPACN-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide
SMILESNCC(=O)NC(=O)c1nccc(OCc2ccc(C(F)(F)F)cc2)c1O
InChIInChI=1S/C16H14F3N3O4/c17-16(18,19)10-3-1-9(2-4-10)8-26-11-5-6-21-13(14(11)24)15(25)22-12(23)7-20/h1-6,24H,7-8,20H2,(H,22,23,25)
InChIKeyWDNNANUPCSFLIY-UHFFFAOYSA-N
MW369.30 g/mol
LogP1.60
Rot. Bonds5

About N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide

N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide (PubChem CID 54425094) has the molecular formula C16H14F3N3O4 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide
PubChem CID54425094
Molecular FormulaC16H14F3N3O4
Molecular Weight369.30 g/mol
Exact Mass369.09
IUPAC NameN-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide
SMILESNCC(=O)NC(=O)c1nccc(OCc2ccc(C(F)(F)F)cc2)c1O
InChIInChI=1S/C16H14F3N3O4/c17-16(18,19)10-3-1-9(2-4-10)8-26-11-5-6-21-13(14(11)24)15(25)22-12(23)7-20/h1-6,24H,7-8,20H2,(H,22,23,25)
InChIKeyWDNNANUPCSFLIY-UHFFFAOYSA-N
XLogP1.60
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide
CID 54189999
N-(2-aminoacetyl)-3-hydroxy-4-propan-2-yloxypyridine-2-carboxamide
CID 54225142
N-(2-aminoacetyl)-3-phenylmethoxypyridine-2-carboxamide
CID 15295479
3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923731
(3-hydroxy-4-phenylmethoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363670
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 19960297
4-chloro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenol
CID 142618666
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate
CID 22363219
(3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363701
5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923812

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide (CID 54425094) is N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide is NCC(=O)NC(=O)c1nccc(OCc2ccc(C(F)(F)F)cc2)c1O.
What is the InChIKey of N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide?
The InChIKey is WDNNANUPCSFLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O4/c17-16(18,19)10-3-1-9(2-4-10)8-26-11-5-6-21-13(14(11)24)15(25)22-12(23)7-20/h1-6,24H,7-8,20H2,(H,22,23,25).
What are the key properties of N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide?
N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide has a molecular weight of 369.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 54425094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).