3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one

C22H21F3N4O2 — CID 170312942

IUPAC3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one
SMILESCC1N=Cc2c(-c3ccc(C(F)(F)F)cc3)cnc(NC3CCNC(=O)C3C)c2C1=O
InChIInChI=1S/C22H21F3N4O2/c1-11-17(7-8-26-21(11)31)29-20-18-16(10-27-12(2)19(18)30)15(9-28-20)13-3-5-14(6-4-13)22(23,24)25/h3-6,9-12,17H,7-8H2,1-2H3,(H,26,31)(H,28,29)
InChIKeyOUQVKSMJAULMQV-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.71
Rot. Bonds3

About 3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one

3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one (PubChem CID 170312942) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one.

Molecular Properties

Compound Name3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one
PubChem CID170312942
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one
SMILESCC1N=Cc2c(-c3ccc(C(F)(F)F)cc3)cnc(NC3CCNC(=O)C3C)c2C1=O
InChIInChI=1S/C22H21F3N4O2/c1-11-17(7-8-26-21(11)31)29-20-18-16(10-27-12(2)19(18)30)15(9-28-20)13-3-5-14(6-4-13)22(23,24)25/h3-6,9-12,17H,7-8H2,1-2H3,(H,26,31)(H,28,29)
InChIKeyOUQVKSMJAULMQV-UHFFFAOYSA-N
XLogP3.71
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one?
The IUPAC name of 3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one (CID 170312942) is 3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one.
What is the SMILES notation for 3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one?
The canonical SMILES for 3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one is CC1N=Cc2c(-c3ccc(C(F)(F)F)cc3)cnc(NC3CCNC(=O)C3C)c2C1=O.
What is the InChIKey of 3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one?
The InChIKey is OUQVKSMJAULMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-11-17(7-8-26-21(11)31)29-20-18-16(10-27-12(2)19(18)30)15(9-28-20)13-3-5-14(6-4-13)22(23,24)25/h3-6,9-12,17H,7-8H2,1-2H3,(H,26,31)(H,28,29).
What are the key properties of 3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one?
3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one has a molecular weight of 430.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]-3H-2,6-naphthyridin-4-one is sourced from PubChem (CID 170312942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).