4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C22H26F3N5O — CID 118910989

IUPAC4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC1CCCN(c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)c2)C3)C1
InChIInChI=1S/C22H26F3N5O/c1-14-3-2-7-30(11-14)19-10-17(21(26)31)28-18-13-29(8-5-16(18)19)12-15-4-6-27-20(9-15)22(23,24)25/h4,6,9-10,14H,2-3,5,7-8,11-13H2,1H3,(H2,26,31)
InChIKeyBXFWJNUYWOSVQS-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.39
Rot. Bonds4

About 4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118910989) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118910989
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC1CCCN(c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)c2)C3)C1
InChIInChI=1S/C22H26F3N5O/c1-14-3-2-7-30(11-14)19-10-17(21(26)31)28-18-13-29(8-5-16(18)19)12-15-4-6-27-20(9-15)22(23,24)25/h4,6,9-10,14H,2-3,5,7-8,11-13H2,1H3,(H2,26,31)
InChIKeyBXFWJNUYWOSVQS-UHFFFAOYSA-N
XLogP3.39
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118910989) is 4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is CC1CCCN(c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)c2)C3)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is BXFWJNUYWOSVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O/c1-14-3-2-7-30(11-14)19-10-17(21(26)31)28-18-13-29(8-5-16(18)19)12-15-4-6-27-20(9-15)22(23,24)25/h4,6,9-10,14H,2-3,5,7-8,11-13H2,1H3,(H2,26,31).
What are the key properties of 4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118910989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).