2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H30N4O3 — CID 110260627

IUPAC2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccccc1CCC(=O)N1CCCCC1c1nc(C)c2c(n1)N(C)C(=O)CC2
InChIInChI=1S/C24H30N4O3/c1-16-18-12-14-21(29)27(2)24(18)26-23(25-16)19-9-6-7-15-28(19)22(30)13-11-17-8-4-5-10-20(17)31-3/h4-5,8,10,19H,6-7,9,11-15H2,1-3H3
InChIKeyDRZRQBJLPCDPMY-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.39
Rot. Bonds5

About 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110260627) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110260627
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccccc1CCC(=O)N1CCCCC1c1nc(C)c2c(n1)N(C)C(=O)CC2
InChIInChI=1S/C24H30N4O3/c1-16-18-12-14-21(29)27(2)24(18)26-23(25-16)19-9-6-7-15-28(19)22(30)13-11-17-8-4-5-10-20(17)31-3/h4-5,8,10,19H,6-7,9,11-15H2,1-3H3
InChIKeyDRZRQBJLPCDPMY-UHFFFAOYSA-N
XLogP3.39
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260803
2-(dimethylamino)-1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95833702
1-[(2S)-2-[8-[2-(2-methoxyphenyl)ethyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95833060
1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95832990
1-[(2R)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95833066
2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630384
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629786
2-(dimethylamino)-1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95833700
N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92631432
2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260953
2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629984
2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631456

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110260627) is 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COc1ccccc1CCC(=O)N1CCCCC1c1nc(C)c2c(n1)N(C)C(=O)CC2.
What is the InChIKey of 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DRZRQBJLPCDPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-18-12-14-21(29)27(2)24(18)26-23(25-16)19-9-6-7-15-28(19)22(30)13-11-17-8-4-5-10-20(17)31-3/h4-5,8,10,19H,6-7,9,11-15H2,1-3H3.
What are the key properties of 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 422.53 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110260627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).