7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile

C17H15N5O3 — CID 929959

IUPAC7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H15N5O3/c1-21-15-13(16(23)22(2)17(21)24)12(11(8-18)14(19)20-15)9-4-6-10(25-3)7-5-9/h4-7H,1-3H3,(H2,19,20)
InChIKeyJBTJTLNEFVICRK-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.76
Rot. Bonds2

About 7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile

7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 929959) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID929959
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H15N5O3/c1-21-15-13(16(23)22(2)17(21)24)12(11(8-18)14(19)20-15)9-4-6-10(25-3)7-5-9/h4-7H,1-3H3,(H2,19,20)
InChIKeyJBTJTLNEFVICRK-UHFFFAOYSA-N
XLogP0.76
TPSA115.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-Amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11674534
7-Amino-4-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 135403971
Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-
CID 71449608
Methyl 5-(3-methoxyphenyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
CID 6625351
7-Amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11695818
3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 22449821
2-amino-4-(3-methoxyphenyl)-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-3-carbonitrile
CID 1511880
N-[(4-Methoxyphenyl)methyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 16008603
7-Amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 1088622
7-Amino-5-(3-chloro-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 1088623
5-(4-methoxyphenyl)-2-(piperidin-1-yl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135645526
5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 16457445

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 929959) is 7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile is COc1ccc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is JBTJTLNEFVICRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-21-15-13(16(23)22(2)17(21)24)12(11(8-18)14(19)20-15)9-4-6-10(25-3)7-5-9/h4-7H,1-3H3,(H2,19,20).
What are the key properties of 7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 337.34 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 929959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).