2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide

C15H13F3N4O4 — CID 133275354

IUPAC2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide
SMILESCOc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N4O4/c1-26-10-3-2-8(12(5-10)15(16,17)18)6-20-14-11(13(19)23)4-9(7-21-14)22(24)25/h2-5,7H,6H2,1H3,(H2,19,23)(H,20,21)
InChIKeyFFMMJUHKOPSKSJ-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.73
Rot. Bonds6

About 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide

2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide (PubChem CID 133275354) has the molecular formula C15H13F3N4O4 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide
PubChem CID133275354
Molecular FormulaC15H13F3N4O4
Molecular Weight370.29 g/mol
Exact Mass370.09
IUPAC Name2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide
SMILESCOc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N4O4/c1-26-10-3-2-8(12(5-10)15(16,17)18)6-20-14-11(13(19)23)4-9(7-21-14)22(24)25/h2-5,7H,6H2,1H3,(H2,19,23)(H,20,21)
InChIKeyFFMMJUHKOPSKSJ-UHFFFAOYSA-N
XLogP2.73
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitrobenzamide
CID 133275327
2-[(3-fluoro-4-methylphenyl)methylamino]-5-nitropyridine-3-carboxamide
CID 78862249
2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxamide
CID 133449076
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133469822
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
5-nitro-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
CID 133486819
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
2-fluoro-5-methoxy-4-[[4-[[4-methoxy-2-[methyl(methylsulfinyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 143993233
2-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]-5-nitropyridine-3-carboxamide
CID 133307030
2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide
CID 94178776
(2R)-2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-2-phenylacetamide
CID 95297826

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide (CID 133275354) is 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide is COc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide?
The InChIKey is FFMMJUHKOPSKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O4/c1-26-10-3-2-8(12(5-10)15(16,17)18)6-20-14-11(13(19)23)4-9(7-21-14)22(24)25/h2-5,7H,6H2,1H3,(H2,19,23)(H,20,21).
What are the key properties of 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide?
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide has a molecular weight of 370.29 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133275354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).