N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

C20H14Cl2N4O3 — CID 41230501

IUPACN-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C20H14Cl2N4O3/c1-25-10-13(18(27)23-15-9-11(21)7-8-14(15)22)16-17(25)19(28)26(20(29)24-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,27)(H,24,29)
InChIKeyNXQSCMXVSRVRQE-UHFFFAOYSA-N
MW429.26 g/mol
LogP3.58
Rot. Bonds3

About N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 41230501) has the molecular formula C20H14Cl2N4O3 and a molecular weight of 429.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID41230501
Molecular FormulaC20H14Cl2N4O3
Molecular Weight429.26 g/mol
Exact Mass428.04
IUPAC NameN-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C20H14Cl2N4O3/c1-25-10-13(18(27)23-15-9-11(21)7-8-14(15)22)16-17(25)19(28)26(20(29)24-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,27)(H,24,29)
InChIKeyNXQSCMXVSRVRQE-UHFFFAOYSA-N
XLogP3.58
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-(5-chloro-2-methylphenyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 27369243
N-(2-ethylphenyl)-5-methyl-3-(4-methylphenyl)-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41231026
N-(3,4-difluorophenyl)-5-methyl-3-(4-methylphenyl)-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41231084
N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025290
3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 27651938
N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41230865
N-(4-acetylphenyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 16820262
3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 16815260
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 18568357
3-benzyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 27369245
5-methyl-3-(4-methylphenyl)-2,4-dioxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41231064
N-(2,5-dichlorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497969

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 41230501) is N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is Cn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is NXQSCMXVSRVRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O3/c1-25-10-13(18(27)23-15-9-11(21)7-8-14(15)22)16-17(25)19(28)26(20(29)24-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,23,27)(H,24,29).
What are the key properties of N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 429.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 41230501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).