4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C22H28N4O — CID 124953697

IUPAC4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCCNC2)nc2c1CCC(=O)N2CCCc1ccccc1
InChIInChI=1S/C22H28N4O/c1-16-19-11-12-20(27)26(14-6-9-17-7-3-2-4-8-17)22(19)25-21(24-16)18-10-5-13-23-15-18/h2-4,7-8,18,23H,5-6,9-15H2,1H3/t18-/m0/s1
InChIKeyDWXOCMNKKBUNCA-SFHVURJKSA-N
MW364.49 g/mol
LogP3.16
Rot. Bonds5

About 4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 124953697) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID124953697
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCCNC2)nc2c1CCC(=O)N2CCCc1ccccc1
InChIInChI=1S/C22H28N4O/c1-16-19-11-12-20(27)26(14-6-9-17-7-3-2-4-8-17)22(19)25-21(24-16)18-10-5-13-23-15-18/h2-4,7-8,18,23H,5-6,9-15H2,1H3/t18-/m0/s1
InChIKeyDWXOCMNKKBUNCA-SFHVURJKSA-N
XLogP3.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 124953697) is 4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@H]2CCCNC2)nc2c1CCC(=O)N2CCCc1ccccc1.
What is the InChIKey of 4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DWXOCMNKKBUNCA-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N4O/c1-16-19-11-12-20(27)26(14-6-9-17-7-3-2-4-8-17)22(19)25-21(24-16)18-10-5-13-23-15-18/h2-4,7-8,18,23H,5-6,9-15H2,1H3/t18-/m0/s1.
What are the key properties of 4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 364.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 124953697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).