N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide

C15H14F3N3O2 — CID 175847313

IUPACN-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O2/c1-8(21-14(23)9-2-3-13(22)20-7-9)10-4-11(15(16,17)18)6-12(19)5-10/h2-8H,19H2,1H3,(H,20,22)(H,21,23)
InChIKeySDMCTDDZBLFLSC-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.47
Rot. Bonds3

About N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 175847313) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID175847313
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O2/c1-8(21-14(23)9-2-3-13(22)20-7-9)10-4-11(15(16,17)18)6-12(19)5-10/h2-8H,19H2,1H3,(H,20,22)(H,21,23)
InChIKeySDMCTDDZBLFLSC-UHFFFAOYSA-N
XLogP2.47
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 175582890
N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56809827
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-5-cyano-6-oxo-1-phenylpyridazine-3-carboxamide
CID 175583019
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[(1R,2R)-2-hydroxycyclohexyl]-6-oxopyridazine-3-carboxamide
CID 167473500
6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136950368
6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 71144853
tert-butyl 4-[3-[5-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2-oxo-1-pyridinyl]phenyl]-3-oxopiperazine-1-carboxylate
CID 167473594
N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60708849
3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(6-oxo-1H-pyridin-3-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
CID 138714371
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-5-[(3S)-oxolan-3-yl]oxy-1H-indole-7-carboxamide
CID 162763389
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 175847313) is N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)[nH]c1)c1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SDMCTDDZBLFLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-8(21-14(23)9-2-3-13(22)20-7-9)10-4-11(15(16,17)18)6-12(19)5-10/h2-8H,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 175847313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).