N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C20H23N5O3 — CID 53085393

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C20H23N5O3/c1-12-10-15(16-17(22-12)24(4)20(28)25(5)19(16)27)18(26)21-11-13-6-8-14(9-7-13)23(2)3/h6-10H,11H2,1-5H3,(H,21,26)
InChIKeyPXMNVOYSCABAIM-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.94
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53085393) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53085393
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C20H23N5O3/c1-12-10-15(16-17(22-12)24(4)20(28)25(5)19(16)27)18(26)21-11-13-6-8-14(9-7-13)23(2)3/h6-10H,11H2,1-5H3,(H,21,26)
InChIKeyPXMNVOYSCABAIM-UHFFFAOYSA-N
XLogP0.94
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621872
N-[2-(furan-2-yl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085396
1,3,7-trimethyl-N-(2-morpholin-4-ylethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007746
N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085401
1,3,7-trimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 93068970
7-amino-N-[(4-chlorophenyl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476487
7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476483
2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 34527991
N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 166190193
N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35522172
N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
CID 61378453
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 9305214

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 53085393) is N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PXMNVOYSCABAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-10-15(16-17(22-12)24(4)20(28)25(5)19(16)27)18(26)21-11-13-6-8-14(9-7-13)23(2)3/h6-10H,11H2,1-5H3,(H,21,26).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53085393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).