N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide

C23H20N4O5S — CID 55583613

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)nc2n(C)c1=O
InChIInChI=1S/C23H20N4O5S/c1-25-20-16(21(28)26(2)23(25)30)6-7-17(24-20)22(29)27(13-15-4-3-11-33-15)14-5-8-18-19(12-14)32-10-9-31-18/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyHACJOAGIZKGDDC-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.31
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 55583613) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID55583613
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)nc2n(C)c1=O
InChIInChI=1S/C23H20N4O5S/c1-25-20-16(21(28)26(2)23(25)30)6-7-17(24-20)22(29)27(13-15-4-3-11-33-15)14-5-8-18-19(12-14)32-10-9-31-18/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyHACJOAGIZKGDDC-UHFFFAOYSA-N
XLogP2.31
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)quinoxaline-2-carboxamide
CID 9119832
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39708928
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 30781467
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 39708992
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 55531632
trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 98967129
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 17430300
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-oxoacridin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 30019003
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-N-(thiophen-2-ylmethyl)benzotriazole-5-carboxamide
CID 39708852
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 75429808
[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 55553618
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 46807215

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 55583613) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)nc2n(C)c1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is HACJOAGIZKGDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c1-25-20-16(21(28)26(2)23(25)30)6-7-17(24-20)22(29)27(13-15-4-3-11-33-15)14-5-8-18-19(12-14)32-10-9-31-18/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxo-N-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 55583613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).