4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C22H34N4O3 — CID 110260982

IUPAC4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2CCC(C)C
InChIInChI=1S/C22H34N4O3/c1-14(2)10-12-26-19(27)9-8-17-16(5)23-21(24-22(17)26)18-7-6-11-25(18)20(28)13-29-15(3)4/h14-15,18H,6-13H2,1-5H3
InChIKeyNVDGFYWDRRFSIO-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.20
Rot. Bonds7

About 4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110260982) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110260982
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2CCC(C)C
InChIInChI=1S/C22H34N4O3/c1-14(2)10-12-26-19(27)9-8-17-16(5)23-21(24-22(17)26)18-7-6-11-25(18)20(28)13-29-15(3)4/h14-15,18H,6-13H2,1-5H3
InChIKeyNVDGFYWDRRFSIO-UHFFFAOYSA-N
XLogP3.20
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(3-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630515
4-methyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630067
4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630068
4,7-dimethyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261665
4-methyl-8-(2-methylpropyl)-2-[(2S)-1-[4-(2-oxopyrrolidin-1-yl)butanoyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630520
2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260924
N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 95831231
7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261664
4-methyl-2-[(2S)-1-(3-methylbutanoyl)pyrrolidin-2-yl]-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630357
8-(cyclopropylmethyl)-4-methyl-2-[(2R)-1-(3-methylbutanoyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629774
2-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260803
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110260982) is 4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2CCC(C)C.
What is the InChIKey of 4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NVDGFYWDRRFSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-14(2)10-12-26-19(27)9-8-17-16(5)23-21(24-22(17)26)18-7-6-11-25(18)20(28)13-29-15(3)4/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 402.54 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110260982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).