2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide

C21H24N6O3 — CID 164519563

IUPAC2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide
SMILESCn1c(=O)c2c(NCC(=O)Nc3ccccc3)cc(N3CCCC3)nc2n(C)c1=O
InChIInChI=1S/C21H24N6O3/c1-25-19-18(20(29)26(2)21(25)30)15(12-16(24-19)27-10-6-7-11-27)22-13-17(28)23-14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,22,24)(H,23,28)
InChIKeyKLGPEAGGCSAYBL-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.28
Rot. Bonds5

About 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide

2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide (PubChem CID 164519563) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide
PubChem CID164519563
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide
SMILESCn1c(=O)c2c(NCC(=O)Nc3ccccc3)cc(N3CCCC3)nc2n(C)c1=O
InChIInChI=1S/C21H24N6O3/c1-25-19-18(20(29)26(2)21(25)30)15(12-16(24-19)27-10-6-7-11-27)22-13-17(28)23-14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,22,24)(H,23,28)
InChIKeyKLGPEAGGCSAYBL-UHFFFAOYSA-N
XLogP1.28
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide with MolForge

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Related Compounds

N-phenyl-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
CID 5308165
N-naphthalen-2-yl-2-(2-piperidin-1-ylanilino)acetamide
CID 9100114
1,3-dimethyl-7-phenacyl-8-piperidin-1-ylpurine-2,6-dione
CID 1036712
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 9100145
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
7-amino-5-anilino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2786085
2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009287
N-(3-chlorophenyl)-2-(7-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CID 40860070
2-(7-tert-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 16578803
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544640

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide (CID 164519563) is 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide is Cn1c(=O)c2c(NCC(=O)Nc3ccccc3)cc(N3CCCC3)nc2n(C)c1=O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide?
The InChIKey is KLGPEAGGCSAYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-25-19-18(20(29)26(2)21(25)30)15(12-16(24-19)27-10-6-7-11-27)22-13-17(28)23-14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,22,24)(H,23,28).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide?
2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide has a molecular weight of 408.46 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-phenylacetamide is sourced from PubChem (CID 164519563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).