8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C24H31N5O — CID 70114097

IUPAC8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)(C)CCn1c(=O)ccc2cnc(N(c3ccccc3)C3CCNCC3)nc21
InChIInChI=1S/C24H31N5O/c1-24(2,3)13-16-28-21(30)10-9-18-17-26-23(27-22(18)28)29(19-7-5-4-6-8-19)20-11-14-25-15-12-20/h4-10,17,20,25H,11-16H2,1-3H3
InChIKeyYUZOPKHMHXFYBN-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.12
Rot. Bonds5

About 8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70114097) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70114097
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)(C)CCn1c(=O)ccc2cnc(N(c3ccccc3)C3CCNCC3)nc21
InChIInChI=1S/C24H31N5O/c1-24(2,3)13-16-28-21(30)10-9-18-17-26-23(27-22(18)28)29(19-7-5-4-6-8-19)20-11-14-25-15-12-20/h4-10,17,20,25H,11-16H2,1-3H3
InChIKeyYUZOPKHMHXFYBN-UHFFFAOYSA-N
XLogP4.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112222
8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70111873
8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70346791
8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112450
8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114854
2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70113134
7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 123568985
6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 68888651
4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol
CID 90737217
N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride
CID 171700739
8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 67553457
8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70133381

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 70114097) is 8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CC(C)(C)CCn1c(=O)ccc2cnc(N(c3ccccc3)C3CCNCC3)nc21.
What is the InChIKey of 8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YUZOPKHMHXFYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-24(2,3)13-16-28-21(30)10-9-18-17-26-23(27-22(18)28)29(19-7-5-4-6-8-19)20-11-14-25-15-12-20/h4-10,17,20,25H,11-16H2,1-3H3.
What are the key properties of 8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 405.55 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70114097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).