3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one

C21H24N4O2 — CID 11617527

IUPAC3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ncccc2c1=O
InChIInChI=1S/C21H24N4O2/c1-24-20(23-19-18(21(24)26)6-4-11-22-19)16-7-9-17(10-8-16)27-15-5-14-25-12-2-3-13-25/h4,6-11H,2-3,5,12-15H2,1H3
InChIKeyOUZVUDRPJPJKGP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.86
Rot. Bonds6

About 3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one

3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 11617527) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID11617527
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ncccc2c1=O
InChIInChI=1S/C21H24N4O2/c1-24-20(23-19-18(21(24)26)6-4-11-22-19)16-7-9-17(10-8-16)27-15-5-14-25-12-2-3-13-25/h4,6-11H,2-3,5,12-15H2,1H3
InChIKeyOUZVUDRPJPJKGP-UHFFFAOYSA-N
XLogP2.86
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11545644
3-methyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 11494881
3-methyl-2-[2-methyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11625039
3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 11509710
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 143618011
5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 59651971
2-[4-(3-chloropropoxy)phenyl]-8-methoxy-3-methylquinazolin-4-one
CID 20504705
2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one
CID 11669670
2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-8-(trifluoromethyl)quinazolin-4-one
CID 24951350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one (CID 11617527) is 3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one is Cn1c(-c2ccc(OCCCN3CCCC3)cc2)nc2ncccc2c1=O.
What is the InChIKey of 3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OUZVUDRPJPJKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-20(23-19-18(21(24)26)6-4-11-22-19)16-7-9-17(10-8-16)27-15-5-14-25-12-2-3-13-25/h4,6-11H,2-3,5,12-15H2,1H3.
What are the key properties of 3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one?
3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 11617527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).