2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C20H18F3N3O2 — CID 46908096

IUPAC2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(OC(C)C(F)(F)F)cc1
InChIInChI=1S/C20H18F3N3O2/c1-12-17(10-15-4-3-9-24-18(15)26-12)19(27)25-11-14-5-7-16(8-6-14)28-13(2)20(21,22)23/h3-10,13H,11H2,1-2H3,(H,25,27)
InChIKeyGOIHUIARTMPTPJ-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.20
Rot. Bonds5

About 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 46908096) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID46908096
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(OC(C)C(F)(F)F)cc1
InChIInChI=1S/C20H18F3N3O2/c1-12-17(10-15-4-3-9-24-18(15)26-12)19(27)25-11-14-5-7-16(8-6-14)28-13(2)20(21,22)23/h3-10,13H,11H2,1-2H3,(H,25,27)
InChIKeyGOIHUIARTMPTPJ-UHFFFAOYSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.20
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-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 46908096) is 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(OC(C)C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is GOIHUIARTMPTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-12-17(10-15-4-3-9-24-18(15)26-12)19(27)25-11-14-5-7-16(8-6-14)28-13(2)20(21,22)23/h3-10,13H,11H2,1-2H3,(H,25,27).
What are the key properties of 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46908096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).