1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C21H23N5O3 — CID 37399249

IUPAC1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)ccc1N1CCCC1
InChIInChI=1S/C21H23N5O3/c1-13-12-14(6-9-17(13)26-10-4-5-11-26)22-19(27)16-8-7-15-18(23-16)24(2)21(29)25(3)20(15)28/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,27)
InChIKeyHLRANXGOZLRKFP-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.79
Rot. Bonds3

About 1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 37399249) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID37399249
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)ccc1N1CCCC1
InChIInChI=1S/C21H23N5O3/c1-13-12-14(6-9-17(13)26-10-4-5-11-26)22-19(27)16-8-7-15-18(23-16)24(2)21(29)25(3)20(15)28/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,27)
InChIKeyHLRANXGOZLRKFP-UHFFFAOYSA-N
XLogP1.79
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39300001
1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39628674
N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55577042
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55720567
1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30839985
1,3-dimethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30823859
1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 31819263
3,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38117000
1,3-dimethyl-2,4-dioxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 154735884
1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 47048571
5-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 39727257

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 37399249) is 1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cc1cc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)ccc1N1CCCC1.
What is the InChIKey of 1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is HLRANXGOZLRKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-12-14(6-9-17(13)26-10-4-5-11-26)22-19(27)16-8-7-15-18(23-16)24(2)21(29)25(3)20(15)28/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,27).
What are the key properties of 1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 37399249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).