1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione

C29H31N5O2 — CID 2786023

IUPAC1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1c2c(N3CCCCC3)cc(N3CCCCC3)nc2n(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C29H31N5O2/c35-28-26-24(31-17-9-3-10-18-31)21-25(32-19-11-4-12-20-32)30-27(26)33(22-13-5-1-6-14-22)29(36)34(28)23-15-7-2-8-16-23/h1-2,5-8,13-16,21H,3-4,9-12,17-20H2
InChIKeyPBACXVPXFFQSGA-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.52
Rot. Bonds4

About 1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione

1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2786023) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2786023
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC Name1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1c2c(N3CCCCC3)cc(N3CCCCC3)nc2n(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C29H31N5O2/c35-28-26-24(31-17-9-3-10-18-31)21-25(32-19-11-4-12-20-32)30-27(26)33(22-13-5-1-6-14-22)29(36)34(28)23-15-7-2-8-16-23/h1-2,5-8,13-16,21H,3-4,9-12,17-20H2
InChIKeyPBACXVPXFFQSGA-UHFFFAOYSA-N
XLogP4.52
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 2786023) is 1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione is O=c1c2c(N3CCCCC3)cc(N3CCCCC3)nc2n(-c2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PBACXVPXFFQSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c35-28-26-24(31-17-9-3-10-18-31)21-25(32-19-11-4-12-20-32)30-27(26)33(22-13-5-1-6-14-22)29(36)34(28)23-15-7-2-8-16-23/h1-2,5-8,13-16,21H,3-4,9-12,17-20H2.
What are the key properties of 1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 481.60 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2786023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).