2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C23H17F3N4O — CID 46908295

IUPAC2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(-c2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N4O/c1-14-19(11-16-4-3-9-28-21(16)30-14)22(31)29-12-15-6-7-18(17-5-2-8-27-13-17)20(10-15)23(24,25)26/h2-11,13H,12H2,1H3,(H,29,31)
InChIKeyOYJWZVQXAFZDAP-UHFFFAOYSA-N
MW422.41 g/mol
LogP4.95
Rot. Bonds4

About 2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 46908295) has the molecular formula C23H17F3N4O and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID46908295
Molecular FormulaC23H17F3N4O
Molecular Weight422.41 g/mol
Exact Mass422.14
IUPAC Name2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(-c2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N4O/c1-14-19(11-16-4-3-9-28-21(16)30-14)22(31)29-12-15-6-7-18(17-5-2-8-27-13-17)20(10-15)23(24,25)26/h2-11,13H,12H2,1H3,(H,29,31)
InChIKeyOYJWZVQXAFZDAP-UHFFFAOYSA-N
XLogP4.95
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 46908295) is 2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(-c2cccnc2)c(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is OYJWZVQXAFZDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O/c1-14-19(11-16-4-3-9-28-21(16)30-14)22(31)29-12-15-6-7-18(17-5-2-8-27-13-17)20(10-15)23(24,25)26/h2-11,13H,12H2,1H3,(H,29,31).
What are the key properties of 2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46908295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).