3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide

C14H9F3N6O — CID 171645092

IUPAC3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide
SMILESNC(=O)c1nc2cccnc2c(-c2cncnc2C(F)(F)F)c1N
InChIInChI=1S/C14H9F3N6O/c15-14(16,17)12-6(4-20-5-22-12)8-9(18)11(13(19)24)23-7-2-1-3-21-10(7)8/h1-5H,18H2,(H2,19,24)
InChIKeyHXVQGXCIEFUCQB-UHFFFAOYSA-N
MW334.26 g/mol
LogP1.79
Rot. Bonds2

About 3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide

3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide (PubChem CID 171645092) has the molecular formula C14H9F3N6O and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide
PubChem CID171645092
Molecular FormulaC14H9F3N6O
Molecular Weight334.26 g/mol
Exact Mass334.08
IUPAC Name3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide
SMILESNC(=O)c1nc2cccnc2c(-c2cncnc2C(F)(F)F)c1N
InChIInChI=1S/C14H9F3N6O/c15-14(16,17)12-6(4-20-5-22-12)8-9(18)11(13(19)24)23-7-2-1-3-21-10(7)8/h1-5H,18H2,(H2,19,24)
InChIKeyHXVQGXCIEFUCQB-UHFFFAOYSA-N
XLogP1.79
TPSA120.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-(1,4-dimethylpyrazol-5-yl)-1,5-naphthyridine-2-carboxamide
CID 171645050
3-amino-4-(2,3-dihydro-1H-indol-4-yl)-1,5-naphthyridine-2-carboxamide
CID 171645150
3-amino-4-(1-formyl-2,3-dihydroindol-4-yl)-1,5-naphthyridine-2-carboxamide
CID 171645346
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 170449159
CID 175543320
CID 175543320
2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 126655093
2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone
CID 100951468
3-amino-6-methyl-4-(trifluoromethyl)quinoline-2-carboxamide
CID 142268929
3-(8-bromoisoquinolin-4-yl)pyridine-2-carboxamide
CID 175717333
1,5-naphthyridine-3,4-diamine
CID 22172703
pyrido[3,2-h]quinazoline
CID 55297723

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide (CID 171645092) is 3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide is NC(=O)c1nc2cccnc2c(-c2cncnc2C(F)(F)F)c1N.
What is the InChIKey of 3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide?
The InChIKey is HXVQGXCIEFUCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N6O/c15-14(16,17)12-6(4-20-5-22-12)8-9(18)11(13(19)24)23-7-2-1-3-21-10(7)8/h1-5H,18H2,(H2,19,24).
What are the key properties of 3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide?
3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide has a molecular weight of 334.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(trifluoromethyl)pyrimidin-5-yl]-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 171645092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).