1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C20H19N7O3 — CID 47037452

IUPAC1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1nccn1-c1cc(CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)ccn1
InChIInChI=1S/C20H19N7O3/c1-12-21-8-9-27(12)16-10-13(6-7-22-16)11-23-18(28)15-5-4-14-17(24-15)25(2)20(30)26(3)19(14)29/h4-10H,11H2,1-3H3,(H,23,28)
InChIKeyNASXXNOAFHIGBO-UHFFFAOYSA-N
MW405.42 g/mol
LogP0.45
Rot. Bonds4

About 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 47037452) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID47037452
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1nccn1-c1cc(CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)ccn1
InChIInChI=1S/C20H19N7O3/c1-12-21-8-9-27(12)16-10-13(6-7-22-16)11-23-18(28)15-5-4-14-17(24-15)25(2)20(30)26(3)19(14)29/h4-10H,11H2,1-3H3,(H,23,28)
InChIKeyNASXXNOAFHIGBO-UHFFFAOYSA-N
XLogP0.45
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 31819263
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 51115820
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55716284
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 51115815
(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
CID 94122258
1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119432864
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
4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
CID 55716468
5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 55912886
1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30823832
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 55727875
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 47037452) is 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cc1nccn1-c1cc(CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)ccn1.
What is the InChIKey of 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is NASXXNOAFHIGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c1-12-21-8-9-27(12)16-10-13(6-7-22-16)11-23-18(28)15-5-4-14-17(24-15)25(2)20(30)26(3)19(14)29/h4-10H,11H2,1-3H3,(H,23,28).
What are the key properties of 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 47037452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).