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

C22H26N6O3 — CID 164519564

IUPAC2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNc1cc(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H26N6O3/c1-14-8-4-5-9-15(14)24-18(29)13-23-16-12-17(28-10-6-7-11-28)25-20-19(16)21(30)27(3)22(31)26(20)2/h4-5,8-9,12H,6-7,10-11,13H2,1-3H3,(H,23,25)(H,24,29)
InChIKeyQBIWRXNWEQFHPL-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.59
Rot. Bonds5

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

2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-(2-methylphenyl)acetamide (PubChem CID 164519564) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 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-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-(2-methylphenyl)acetamide
PubChem CID164519564
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNc1cc(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H26N6O3/c1-14-8-4-5-9-15(14)24-18(29)13-23-16-12-17(28-10-6-7-11-28)25-20-19(16)21(30)27(3)22(31)26(20)2/h4-5,8-9,12H,6-7,10-11,13H2,1-3H3,(H,23,25)(H,24,29)
InChIKeyQBIWRXNWEQFHPL-UHFFFAOYSA-N
XLogP1.59
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 10764021
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CID 118038376
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(4,4-difluoro-piperidin-1-yl)-phenylamino]-nicotinamide
CID 118038416
8-[butyl(ethyl)amino]-4-(4-acetyl-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 24768343
2-[4-(tert-butylcarbamoyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 137349435
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10833725
7-Amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11529688
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CID 13578552
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CID 16070046
6-((1R,2S)-2-Aminocyclohexylamino)-4-(m-tolylamino)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53251953
6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 57391803
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-methyl-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 58317600

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-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-(2-methylphenyl)acetamide (CID 164519564) is 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-(2-methylphenyl)acetamide.
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-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNc1cc(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-(2-methylphenyl)acetamide?
The InChIKey is QBIWRXNWEQFHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-14-8-4-5-9-15(14)24-18(29)13-23-16-12-17(28-10-6-7-11-28)25-20-19(16)21(30)27(3)22(31)26(20)2/h4-5,8-9,12H,6-7,10-11,13H2,1-3H3,(H,23,25)(H,24,29).
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-(2-methylphenyl)acetamide?
2-[(1,3-dimethyl-2,4-dioxo-7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-5-yl)amino]-N-(2-methylphenyl)acetamide has a molecular weight of 422.49 g/mol, XLogP of 1.59, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 164519564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).