N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide

C21H24N4O3 — CID 16841250

IUPACN-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C21H24N4O3/c1-12(2)15-11-22-19-17(20(27)25(5)21(28)24(19)4)18(15)23-16(26)10-14-8-6-7-13(3)9-14/h6-9,11-12H,10H2,1-5H3,(H,22,23,26)
InChIKeyCXBNFXMDNBTKEU-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.25
Rot. Bonds4

About N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide

N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide (PubChem CID 16841250) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide
PubChem CID16841250
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C21H24N4O3/c1-12(2)15-11-22-19-17(20(27)25(5)21(28)24(19)4)18(15)23-16(26)10-14-8-6-7-13(3)9-14/h6-9,11-12H,10H2,1-5H3,(H,22,23,26)
InChIKeyCXBNFXMDNBTKEU-UHFFFAOYSA-N
XLogP2.25
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(4-ethoxyphenyl)acetamide
CID 16841246
4-bromo-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16841281
2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16841165
3-phenyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840800
2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 26844305
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide
CID 16841104
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 16841095
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 134009028
N-(3-chlorophenyl)-2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 26844352
1-(4-chlorophenyl)-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide
CID 16841259
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)furan-2-carboxamide
CID 16840961
5-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-nitrobenzamide
CID 16841211

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide (CID 16841250) is N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide?
The InChIKey is CXBNFXMDNBTKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-12(2)15-11-22-19-17(20(27)25(5)21(28)24(19)4)18(15)23-16(26)10-14-8-6-7-13(3)9-14/h6-9,11-12H,10H2,1-5H3,(H,22,23,26).
What are the key properties of N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide?
N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 16841250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).