1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide

C21H14F3N5O2 — CID 57398897

IUPAC1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)n2)c(=O)c2cnccc21
InChIInChI=1S/C21H14F3N5O2/c1-29-11-14(18(30)13-10-25-9-7-16(13)29)20(31)28-17-6-5-12(15-4-2-3-8-26-15)19(27-17)21(22,23)24/h2-11H,1H3,(H,27,28,31)
InChIKeyFRCSGXOZXJZAQP-UHFFFAOYSA-N
MW425.37 g/mol
LogP3.66
Rot. Bonds3

About 1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide

1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide (PubChem CID 57398897) has the molecular formula C21H14F3N5O2 and a molecular weight of 425.37 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide
PubChem CID57398897
Molecular FormulaC21H14F3N5O2
Molecular Weight425.37 g/mol
Exact Mass425.11
IUPAC Name1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)n2)c(=O)c2cnccc21
InChIInChI=1S/C21H14F3N5O2/c1-29-11-14(18(30)13-10-25-9-7-16(13)29)20(31)28-17-6-5-12(15-4-2-3-8-26-15)19(27-17)21(22,23)24/h2-11H,1H3,(H,27,28,31)
InChIKeyFRCSGXOZXJZAQP-UHFFFAOYSA-N
XLogP3.66
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide (CID 57398897) is 1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)n2)c(=O)c2cnccc21.
What is the InChIKey of 1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide?
The InChIKey is FRCSGXOZXJZAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O2/c1-29-11-14(18(30)13-10-25-9-7-16(13)29)20(31)28-17-6-5-12(15-4-2-3-8-26-15)19(27-17)21(22,23)24/h2-11H,1H3,(H,27,28,31).
What are the key properties of 1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide?
1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide has a molecular weight of 425.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-[5-pyridin-2-yl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 57398897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).