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

C16H14F3N3O5 — CID 54189999

IUPACN-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide
SMILESNCC(=O)NC(=O)c1nccc(OCc2ccc(OC(F)(F)F)cc2)c1O
InChIInChI=1S/C16H14F3N3O5/c17-16(18,19)27-10-3-1-9(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)
InChIKeyPHVMJULFTYNILA-UHFFFAOYSA-N
MW385.30 g/mol
LogP1.48
Rot. Bonds6

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

N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide (PubChem CID 54189999) has the molecular formula C16H14F3N3O5 and a molecular weight of 385.30 g/mol. Its IUPAC name is N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide
PubChem CID54189999
Molecular FormulaC16H14F3N3O5
Molecular Weight385.30 g/mol
Exact Mass385.09
IUPAC NameN-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide
SMILESNCC(=O)NC(=O)c1nccc(OCc2ccc(OC(F)(F)F)cc2)c1O
InChIInChI=1S/C16H14F3N3O5/c17-16(18,19)27-10-3-1-9(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)
InChIKeyPHVMJULFTYNILA-UHFFFAOYSA-N
XLogP1.48
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide
CID 54425094
N-(2-aminoacetyl)-3-phenylmethoxypyridine-2-carboxamide
CID 15295479
pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-3-carboxylate
CID 67690951
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923875
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide
CID 46475730

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide (CID 54189999) is N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide is NCC(=O)NC(=O)c1nccc(OCc2ccc(OC(F)(F)F)cc2)c1O.
What is the InChIKey of N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide?
The InChIKey is PHVMJULFTYNILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O5/c17-16(18,19)27-10-3-1-9(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-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide?
N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide has a molecular weight of 385.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 54189999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).