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

C22H21F3N4O2 — CID 46909360

IUPAC2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N4O2/c1-14-17(12-16-3-2-6-26-20(16)28-14)21(30)27-13-15-4-5-19(18(11-15)22(23,24)25)29-7-9-31-10-8-29/h2-6,11-12H,7-10,13H2,1H3,(H,27,30)
InChIKeyYZXLXKFVXIAMBG-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.72
Rot. Bonds4

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

2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 46909360) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID46909360
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N4O2/c1-14-17(12-16-3-2-6-26-20(16)28-14)21(30)27-13-15-4-5-19(18(11-15)22(23,24)25)29-7-9-31-10-8-29/h2-6,11-12H,7-10,13H2,1H3,(H,27,30)
InChIKeyYZXLXKFVXIAMBG-UHFFFAOYSA-N
XLogP3.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 46909360) is 2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is YZXLXKFVXIAMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-14-17(12-16-3-2-6-26-20(16)28-14)21(30)27-13-15-4-5-19(18(11-15)22(23,24)25)29-7-9-31-10-8-29/h2-6,11-12H,7-10,13H2,1H3,(H,27,30).
What are the key properties of 2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46909360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).