7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile

C19H17ClN4O2 — CID 2456140

IUPAC7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2cc(C#N)c(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C19H17ClN4O2/c1-11(2)10-24-17-15(18(25)23(3)19(24)26)8-13(9-21)16(22-17)12-4-6-14(20)7-5-12/h4-8,11H,10H2,1-3H3
InChIKeyZVNDJMLRSGWPNV-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.94
Rot. Bonds3

About 7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile

7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 2456140) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID2456140
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2cc(C#N)c(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C19H17ClN4O2/c1-11(2)10-24-17-15(18(25)23(3)19(24)26)8-13(9-21)16(22-17)12-4-6-14(20)7-5-12/h4-8,11H,10H2,1-3H3
InChIKeyZVNDJMLRSGWPNV-UHFFFAOYSA-N
XLogP2.94
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 2456140) is 7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile is CC(C)Cn1c(=O)n(C)c(=O)c2cc(C#N)c(-c3ccc(Cl)cc3)nc21.
What is the InChIKey of 7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is ZVNDJMLRSGWPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-11(2)10-24-17-15(18(25)23(3)19(24)26)8-13(9-21)16(22-17)12-4-6-14(20)7-5-12/h4-8,11H,10H2,1-3H3.
What are the key properties of 7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 368.82 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 2456140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).