N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide

C16H11F3N4O — CID 4199798

IUPACN-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)13-12(8-11-2-1-5-21-14(11)23-13)15(24)22-9-10-3-6-20-7-4-10/h1-8H,9H2,(H,22,24)
InChIKeyUJMWPFMSVDEAEX-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.97
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide

N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 4199798) has the molecular formula C16H11F3N4O and a molecular weight of 332.28 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
PubChem CID4199798
Molecular FormulaC16H11F3N4O
Molecular Weight332.28 g/mol
Exact Mass332.09
IUPAC NameN-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)13-12(8-11-2-1-5-21-14(11)23-13)15(24)22-9-10-3-6-20-7-4-10/h1-8H,9H2,(H,22,24)
InChIKeyUJMWPFMSVDEAEX-UHFFFAOYSA-N
XLogP2.97
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide (CID 4199798) is N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide is O=C(NCc1ccncc1)c1cc2cccnc2nc1C(F)(F)F.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is UJMWPFMSVDEAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c17-16(18,19)13-12(8-11-2-1-5-21-14(11)23-13)15(24)22-9-10-3-6-20-7-4-10/h1-8H,9H2,(H,22,24).
What are the key properties of N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 332.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 4199798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).