6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one

C25H31N5O2 — CID 68888651

IUPAC6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccccc1-c1cc2cnc(N(C)C3CCNCC3)nc2n(C2CCOCC2)c1=O
InChIInChI=1S/C25H31N5O2/c1-17-5-3-4-6-21(17)22-15-18-16-27-25(29(2)19-7-11-26-12-8-19)28-23(18)30(24(22)31)20-9-13-32-14-10-20/h3-6,15-16,19-20,26H,7-14H2,1-2H3
InChIKeyWSGOSUYMOLIIPF-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.31
Rot. Bonds4

About 6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one

6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 68888651) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID68888651
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccccc1-c1cc2cnc(N(C)C3CCNCC3)nc2n(C2CCOCC2)c1=O
InChIInChI=1S/C25H31N5O2/c1-17-5-3-4-6-21(17)22-15-18-16-27-25(29(2)19-7-11-26-12-8-19)28-23(18)30(24(22)31)20-9-13-32-14-10-20/h3-6,15-16,19-20,26H,7-14H2,1-2H3
InChIKeyWSGOSUYMOLIIPF-UHFFFAOYSA-N
XLogP3.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(2-methylphenyl)-2-methylsulfanyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 68927411
(3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 68739676
8-methyl-6-(2-methylphenyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162333954
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylamino)-8-cyclopropyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 11495352
6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 90210686
6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934373
4-[2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 68738677
N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride
CID 171700739
6-benzyl-8-cyclopentyl-2-(dimethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 11703006
2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 175812147
4-[6-(2-methylphenyl)-7-oxo-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-8-yl]-1-propan-2-ylpiperidin-1-ium-1-carboxamide
CID 68934369
2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70113134

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one (CID 68888651) is 6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one is Cc1ccccc1-c1cc2cnc(N(C)C3CCNCC3)nc2n(C2CCOCC2)c1=O.
What is the InChIKey of 6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WSGOSUYMOLIIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-5-3-4-6-21(17)22-15-18-16-27-25(29(2)19-7-11-26-12-8-19)28-23(18)30(24(22)31)20-9-13-32-14-10-20/h3-6,15-16,19-20,26H,7-14H2,1-2H3.
What are the key properties of 6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 433.56 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 68888651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).