7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one

C21H23N5O4 — CID 58093129

IUPAC7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NCC3CCNC3=O)n2)cc1OC
InChIInChI=1S/C21H23N5O4/c1-26-11-24-15-9-14(12-4-5-16(29-2)17(8-12)30-3)25-19(18(15)21(26)28)23-10-13-6-7-22-20(13)27/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyAYIYULGTKBSDDJ-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.56
Rot. Bonds6

About 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one

7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 58093129) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
PubChem CID58093129
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NCC3CCNC3=O)n2)cc1OC
InChIInChI=1S/C21H23N5O4/c1-26-11-24-15-9-14(12-4-5-16(29-2)17(8-12)30-3)25-19(18(15)21(26)28)23-10-13-6-7-22-20(13)27/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,22,27)(H,23,25)
InChIKeyAYIYULGTKBSDDJ-UHFFFAOYSA-N
XLogP1.56
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
4-(3,4-dimethoxyphenyl)-N-pyridin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 142592634
1-ethyl-N~3~-(4-methoxyphenethyl)-7-methyl-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxamide
CID 2470993
3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methylpyridin-2-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 3237794
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methylpyridin-2-yl)-6-oxopiperidine-3-carboxamide
CID 3240258
6,7-dimethoxy-2-methyl-N-(6-methylpyridin-2-yl)-1-oxo-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 3245744
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-[3-(4-ethylbenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-YL]acetamide
CID 16024645
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086909
4-{1-[(3,4-Dimethoxyphenyl)carbonyl]piperidin-4-yl}-6-(4-methoxybenzyl)pyrimidin-2-amine
CID 44275609
7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 44403630
3-(3,4-Dimethoxyphenyl)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 118721342
N-(6-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 24761579

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one (CID 58093129) is 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(C)c(=O)c3c(NCC3CCNC3=O)n2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AYIYULGTKBSDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-26-11-24-15-9-14(12-4-5-16(29-2)17(8-12)30-3)25-19(18(15)21(26)28)23-10-13-6-7-22-20(13)27/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,22,27)(H,23,25).
What are the key properties of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one?
7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 409.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(2-oxopyrrolidin-3-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 58093129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).