N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C20H22N6O3 — CID 6179032

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(cc1C(=O)N/N=C\c1ccc(N(C)C)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H22N6O3/c1-12-15(10-16-17(22-12)25(4)20(29)26(5)19(16)28)18(27)23-21-11-13-6-8-14(9-7-13)24(2)3/h6-11H,1-5H3,(H,23,27)/b21-11-
InChIKeyCKRJDOOFHNPJNE-NHDPSOOVSA-N
MW394.44 g/mol
LogP0.77
Rot. Bonds4

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 6179032) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID6179032
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(cc1C(=O)N/N=C\c1ccc(N(C)C)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H22N6O3/c1-12-15(10-16-17(22-12)25(4)20(29)26(5)19(16)28)18(27)23-21-11-13-6-8-14(9-7-13)24(2)3/h6-11H,1-5H3,(H,23,27)/b21-11-
InChIKeyCKRJDOOFHNPJNE-NHDPSOOVSA-N
XLogP0.77
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3-hydroxy-5-nitrophenyl)methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 6882759
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 2776651
2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide
CID 5111295
N-(4-ethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56737849
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 5347000
N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498793
5-amino-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-hydroxybenzamide
CID 4604645
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide
CID 6110691
2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 4592443

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 6179032) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1nc2c(cc1C(=O)N/N=C\c1ccc(N(C)C)cc1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CKRJDOOFHNPJNE-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-12-15(10-16-17(22-12)25(4)20(29)26(5)19(16)28)18(27)23-21-11-13-6-8-14(9-7-13)24(2)3/h6-11H,1-5H3,(H,23,27)/b21-11-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 6179032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).