N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide

C14H12F4N4O — CID 86646056

IUPACN-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide
SMILESCN(c1ccc(F)c(NC(=O)C(F)(F)F)c1)c1ccc(N)cn1
InChIInChI=1S/C14H12F4N4O/c1-22(12-5-2-8(19)7-20-12)9-3-4-10(15)11(6-9)21-13(23)14(16,17)18/h2-7H,19H2,1H3,(H,21,23)
InChIKeyAVLTUWSQDSYUGE-UHFFFAOYSA-N
MW328.27 g/mol
LogP3.07
Rot. Bonds3

About N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide

N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide (PubChem CID 86646056) has the molecular formula C14H12F4N4O and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide
PubChem CID86646056
Molecular FormulaC14H12F4N4O
Molecular Weight328.27 g/mol
Exact Mass328.09
IUPAC NameN-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide
SMILESCN(c1ccc(F)c(NC(=O)C(F)(F)F)c1)c1ccc(N)cn1
InChIInChI=1S/C14H12F4N4O/c1-22(12-5-2-8(19)7-20-12)9-3-4-10(15)11(6-9)21-13(23)14(16,17)18/h2-7H,19H2,1H3,(H,21,23)
InChIKeyAVLTUWSQDSYUGE-UHFFFAOYSA-N
XLogP3.07
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide
CID 130646725
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide
CID 110481225
3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide
CID 107337783
5-amino-2-[methyl(sulfino)amino]pyridine
CID 175914292
4-fluoro-3-N-(3,3,3-trifluoroprop-1-en-2-yl)benzene-1,3-diamine
CID 134442051
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
N-(5-amino-2-fluorophenyl)-2-(3,3,3-trifluoropropoxy)propanamide
CID 82954224
N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
CID 105062950
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81312479
5-amino-N-(2-fluoro-5-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54916911
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79790386

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide (CID 86646056) is N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide is CN(c1ccc(F)c(NC(=O)C(F)(F)F)c1)c1ccc(N)cn1.
What is the InChIKey of N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide?
The InChIKey is AVLTUWSQDSYUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O/c1-22(12-5-2-8(19)7-20-12)9-3-4-10(15)11(6-9)21-13(23)14(16,17)18/h2-7H,19H2,1H3,(H,21,23).
What are the key properties of N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide?
N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide has a molecular weight of 328.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86646056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).