7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C18H19N5O3 — CID 23476483

IUPAC7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H19N5O3/c1-10-12(16(24)20-9-11-7-5-4-6-8-11)14(19)21-15-13(10)17(25)23(3)18(26)22(15)2/h4-8H,9H2,1-3H3,(H2,19,21)(H,20,24)
InChIKeyIWYONCGTLHRQTH-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.45
Rot. Bonds3

About 7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23476483) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID23476483
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H19N5O3/c1-10-12(16(24)20-9-11-7-5-4-6-8-11)14(19)21-15-13(10)17(25)23(3)18(26)22(15)2/h4-8H,9H2,1-3H3,(H2,19,21)(H,20,24)
InChIKeyIWYONCGTLHRQTH-UHFFFAOYSA-N
XLogP0.45
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476487
7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476488
7-amino-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476634
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085393
N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084664
N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide
CID 14444896
7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11494666
N-benzyl-2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CID 15995415
N-benzyl-2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CID 6619681
N-benzyl-1,3-dimethyl-2,4,7-trioxo-8H-pyrido[3,2-d]pyrimidine-6-carboxamide
CID 101349667
N-benzyl-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pyridin-1-ium-3-carboxamide
CID 2306822

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 23476483) is 7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2ccccc2)c(N)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IWYONCGTLHRQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-10-12(16(24)20-9-11-7-5-4-6-8-11)14(19)21-15-13(10)17(25)23(3)18(26)22(15)2/h4-8H,9H2,1-3H3,(H2,19,21)(H,20,24).
What are the key properties of 7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23476483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).