1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide

C20H22N6O3 — CID 31819263

IUPAC1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NCc3ccnc(N4CCCC4)c3)nc2n(C)c1=O
InChIInChI=1S/C20H22N6O3/c1-24-17-14(19(28)25(2)20(24)29)5-6-15(23-17)18(27)22-12-13-7-8-21-16(11-13)26-9-3-4-10-26/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,22,27)
InChIKeyNSZJXFLJHBNVMD-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.56
Rot. Bonds4

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

1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 31819263) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID31819263
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NCc3ccnc(N4CCCC4)c3)nc2n(C)c1=O
InChIInChI=1S/C20H22N6O3/c1-24-17-14(19(28)25(2)20(24)29)5-6-15(23-17)18(27)22-12-13-7-8-21-16(11-13)26-9-3-4-10-26/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,22,27)
InChIKeyNSZJXFLJHBNVMD-UHFFFAOYSA-N
XLogP0.56
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 47037452
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 154833370
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
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 37311675
5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 37313292
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 154737151
1,3-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30823832
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
CID 55843738
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39300001
1,3-dimethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37399249
2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 120641088
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide (CID 31819263) is 1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)NCc3ccnc(N4CCCC4)c3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is NSZJXFLJHBNVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-24-17-14(19(28)25(2)20(24)29)5-6-15(23-17)18(27)22-12-13-7-8-21-16(11-13)26-9-3-4-10-26/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,22,27).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 31819263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).