2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one

C21H19F3N4O2 — CID 110224735

IUPAC2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
SMILESCc1cc(C(F)(F)F)c2c(=O)[nH]c(C3CCCN(C(=O)c4cccnc4)C3)cc2n1
InChIInChI=1S/C21H19F3N4O2/c1-12-8-15(21(22,23)24)18-17(26-12)9-16(27-19(18)29)14-5-3-7-28(11-14)20(30)13-4-2-6-25-10-13/h2,4,6,8-10,14H,3,5,7,11H2,1H3,(H,27,29)
InChIKeyRLPZSCIRNQXGIG-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.67
Rot. Bonds2

About 2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one

2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one (PubChem CID 110224735) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
PubChem CID110224735
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
SMILESCc1cc(C(F)(F)F)c2c(=O)[nH]c(C3CCCN(C(=O)c4cccnc4)C3)cc2n1
InChIInChI=1S/C21H19F3N4O2/c1-12-8-15(21(22,23)24)18-17(26-12)9-16(27-19(18)29)14-5-3-7-28(11-14)20(30)13-4-2-6-25-10-13/h2,4,6,8-10,14H,3,5,7,11H2,1H3,(H,27,29)
InChIKeyRLPZSCIRNQXGIG-UHFFFAOYSA-N
XLogP3.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-7-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 92601024
2-methyl-7-[(3R)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 92601023
[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124949743
[(3R)-3-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816332
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816331
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 118471028
(3-methoxyphenyl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92599410
pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110258753
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
7-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-2-(trifluoromethyl)-6H-1,6-naphthyridin-5-one
CID 110225052

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one (CID 110224735) is 2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one is Cc1cc(C(F)(F)F)c2c(=O)[nH]c(C3CCCN(C(=O)c4cccnc4)C3)cc2n1.
What is the InChIKey of 2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
The InChIKey is RLPZSCIRNQXGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-12-8-15(21(22,23)24)18-17(26-12)9-16(27-19(18)29)14-5-3-7-28(11-14)20(30)13-4-2-6-25-10-13/h2,4,6,8-10,14H,3,5,7,11H2,1H3,(H,27,29).
What are the key properties of 2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one?
2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one has a molecular weight of 416.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[1-(pyridine-3-carbonyl)piperidin-3-yl]-4-(trifluoromethyl)-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 110224735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).