4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

C17H14ClN7O3 — CID 134232339

IUPAC4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2nccnc2Cl)cc1
InChIInChI=1S/C17H14ClN7O3/c1-19-15(26)11-12(23-8-22-11)16(27)24-9-2-4-10(5-3-9)25-17(28)13-14(18)21-7-6-20-13/h2-8H,1H3,(H,19,26)(H,22,23)(H,24,27)(H,25,28)
InChIKeyUSFBJUPGKDVFDD-UHFFFAOYSA-N
MW399.80 g/mol
LogP1.72
Rot. Bonds5

About 4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 134232339) has the molecular formula C17H14ClN7O3 and a molecular weight of 399.80 g/mol. Its IUPAC name is 4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID134232339
Molecular FormulaC17H14ClN7O3
Molecular Weight399.80 g/mol
Exact Mass399.08
IUPAC Name4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2nccnc2Cl)cc1
InChIInChI=1S/C17H14ClN7O3/c1-19-15(26)11-12(23-8-22-11)16(27)24-9-2-4-10(5-3-9)25-17(28)13-14(18)21-7-6-20-13/h2-8H,1H3,(H,19,26)(H,22,23)(H,24,27)(H,25,28)
InChIKeyUSFBJUPGKDVFDD-UHFFFAOYSA-N
XLogP1.72
TPSA141.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 134232339) is 4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2nccnc2Cl)cc1.
What is the InChIKey of 4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is USFBJUPGKDVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O3/c1-19-15(26)11-12(23-8-22-11)16(27)24-9-2-4-10(5-3-9)25-17(28)13-14(18)21-7-6-20-13/h2-8H,1H3,(H,19,26)(H,22,23)(H,24,27)(H,25,28).
What are the key properties of 4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 399.80 g/mol, XLogP of 1.72, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 134232339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).