8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C25H29N5O — CID 70114854

IUPAC8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1CC1CC=CCC1
InChIInChI=1S/C25H29N5O/c31-23-12-11-20-17-27-25(28-24(20)29(23)18-19-7-3-1-4-8-19)30(21-9-5-2-6-10-21)22-13-15-26-16-14-22/h1-3,5-6,9-12,17,19,22,26H,4,7-8,13-16,18H2
InChIKeyFOHPXPCOBSZOJL-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.04
Rot. Bonds5

About 8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70114854) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70114854
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1CC1CC=CCC1
InChIInChI=1S/C25H29N5O/c31-23-12-11-20-17-27-25(28-24(20)29(23)18-19-7-3-1-4-8-19)30(21-9-5-2-6-10-21)22-13-15-26-16-14-22/h1-3,5-6,9-12,17,19,22,26H,4,7-8,13-16,18H2
InChIKeyFOHPXPCOBSZOJL-UHFFFAOYSA-N
XLogP4.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114097
8-[2-(4-phenylphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70111873
8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112222
8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112450
8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70346791
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
4-[N-(2H-triazolo[4,5-d]pyrimidin-5-yl)anilino]cyclohexan-1-ol
CID 90737217
8-(cyclohexylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374998
2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 140664960
6-(2-methylphenyl)-2-[methyl(piperidin-4-yl)amino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 68888651
6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 66510167

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 70114854) is 8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(N(c3ccccc3)C3CCNCC3)nc2n1CC1CC=CCC1.
What is the InChIKey of 8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FOHPXPCOBSZOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c31-23-12-11-20-17-27-25(28-24(20)29(23)18-19-7-3-1-4-8-19)30(21-9-5-2-6-10-21)22-13-15-26-16-14-22/h1-3,5-6,9-12,17,19,22,26H,4,7-8,13-16,18H2.
What are the key properties of 8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 415.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohex-3-en-1-ylmethyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70114854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).