5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C20H20N4O3 — CID 166218917

IUPAC5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(=O)N2CC(c3ccccc3)CC2C)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C20H20N4O3/c1-11-8-15(21-17-16(11)18(25)23-20(27)22-17)19(26)24-10-14(9-12(24)2)13-6-4-3-5-7-13/h3-8,12,14H,9-10H2,1-2H3,(H2,21,22,23,25,27)
InChIKeyHGFVVMMAUFAGQB-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.94
Rot. Bonds2

About 5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 166218917) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID166218917
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(=O)N2CC(c3ccccc3)CC2C)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C20H20N4O3/c1-11-8-15(21-17-16(11)18(25)23-20(27)22-17)19(26)24-10-14(9-12(24)2)13-6-4-3-5-7-13/h3-8,12,14H,9-10H2,1-2H3,(H2,21,22,23,25,27)
InChIKeyHGFVVMMAUFAGQB-UHFFFAOYSA-N
XLogP1.94
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 166218917) is 5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(C(=O)N2CC(c3ccccc3)CC2C)nc2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of 5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HGFVVMMAUFAGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-11-8-15(21-17-16(11)18(25)23-20(27)22-17)19(26)24-10-14(9-12(24)2)13-6-4-3-5-7-13/h3-8,12,14H,9-10H2,1-2H3,(H2,21,22,23,25,27).
What are the key properties of 5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 364.41 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2-methyl-4-phenylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 166218917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).