2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H30N4O3 — CID 127249292

IUPAC2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOCC(=O)N1CCC(c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1
InChIInChI=1S/C24H30N4O3/c1-16-5-4-6-18(13-16)9-12-28-21(29)8-7-20-17(2)25-23(26-24(20)28)19-10-11-27(14-19)22(30)15-31-3/h4-6,13,19H,7-12,14-15H2,1-3H3
InChIKeyMQEKTCOCAZQMMU-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.58
Rot. Bonds6

About 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 127249292) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID127249292
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOCC(=O)N1CCC(c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1
InChIInChI=1S/C24H30N4O3/c1-16-5-4-6-18(13-16)9-12-28-21(29)8-7-20-17(2)25-23(26-24(20)28)19-10-11-27(14-19)22(30)15-31-3/h4-6,13,19H,7-12,14-15H2,1-3H3
InChIKeyMQEKTCOCAZQMMU-UHFFFAOYSA-N
XLogP2.58
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 127249292) is 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COCC(=O)N1CCC(c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1.
What is the InChIKey of 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MQEKTCOCAZQMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-5-4-6-18(13-16)9-12-28-21(29)8-7-20-17(2)25-23(26-24(20)28)19-10-11-27(14-19)22(30)15-31-3/h4-6,13,19H,7-12,14-15H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 422.53 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127249292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).