3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide

C23H26N4O2 — CID 8606681

IUPAC3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide
SMILESCc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-25-22-20(8-5-15-24-22)23(29)27(16)19-12-10-18(11-13-19)26-21(28)14-9-17-6-3-2-4-7-17/h5,8,10-13,15,17H,2-4,6-7,9,14H2,1H3,(H,26,28)
InChIKeyZBGPZJROQDFYBZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.39
Rot. Bonds5

About 3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide

3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide (PubChem CID 8606681) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide
PubChem CID8606681
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide
SMILESCc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-25-22-20(8-5-15-24-22)23(29)27(16)19-12-10-18(11-13-19)26-21(28)14-9-17-6-3-2-4-7-17/h5,8,10-13,15,17H,2-4,6-7,9,14H2,1H3,(H,26,28)
InChIKeyZBGPZJROQDFYBZ-UHFFFAOYSA-N
XLogP4.39
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide (CID 8606681) is 3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide is Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide?
The InChIKey is ZBGPZJROQDFYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-25-22-20(8-5-15-24-22)23(29)27(16)19-12-10-18(11-13-19)26-21(28)14-9-17-6-3-2-4-7-17/h5,8,10-13,15,17H,2-4,6-7,9,14H2,1H3,(H,26,28).
What are the key properties of 3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide?
3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide has a molecular weight of 390.49 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide is sourced from PubChem (CID 8606681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).