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

C23H23F3N4O — CID 46909356

IUPAC2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N4O/c1-15-18(13-17-6-5-9-27-21(17)29-15)22(31)28-14-16-7-8-20(19(12-16)23(24,25)26)30-10-3-2-4-11-30/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,28,31)
InChIKeyBCUFZZYWSYATSO-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.88
Rot. Bonds4

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

2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 46909356) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is 2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID46909356
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N4O/c1-15-18(13-17-6-5-9-27-21(17)29-15)22(31)28-14-16-7-8-20(19(12-16)23(24,25)26)30-10-3-2-4-11-30/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,28,31)
InChIKeyBCUFZZYWSYATSO-UHFFFAOYSA-N
XLogP4.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.88
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-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 46909356) is 2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is BCUFZZYWSYATSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c1-15-18(13-17-6-5-9-27-21(17)29-15)22(31)28-14-16-7-8-20(19(12-16)23(24,25)26)30-10-3-2-4-11-30/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,28,31).
What are the key properties of 2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 4.88, 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-piperidin-1-yl-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46909356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).