methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate

C16H15ClN4O3 — CID 109271897

IUPACmethyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cnc(NC3CC3)cn2)c1
InChIInChI=1S/C16H15ClN4O3/c1-24-16(23)9-2-5-11(17)12(6-9)21-15(22)13-7-19-14(8-18-13)20-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,19,20)(H,21,22)
InChIKeyWRVKVGRQCXFJQP-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.74
Rot. Bonds5

About methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate

methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109271897) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109271897
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Namemethyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2cnc(NC3CC3)cn2)c1
InChIInChI=1S/C16H15ClN4O3/c1-24-16(23)9-2-5-11(17)12(6-9)21-15(22)13-7-19-14(8-18-13)20-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,19,20)(H,21,22)
InChIKeyWRVKVGRQCXFJQP-UHFFFAOYSA-N
XLogP2.74
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-3-[[2-(cyclopentylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109249854
methyl 4-chloro-3-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109289976
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
5-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109271885
N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide
CID 109287599
methyl 4-chloro-3-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109276157
5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109271849
5-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrazine-2-carboxamide
CID 109274247
methyl 4-chloro-3-(1,3-thiazole-4-carbonylamino)benzoate
CID 63049738
6-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109152458
methyl 4-chloro-3-[[5-(2-methylpropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109181345
N-(4-acetylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274207

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate (CID 109271897) is methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2cnc(NC3CC3)cn2)c1.
What is the InChIKey of methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is WRVKVGRQCXFJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-24-16(23)9-2-5-11(17)12(6-9)21-15(22)13-7-19-14(8-18-13)20-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,19,20)(H,21,22).
What are the key properties of methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate?
methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 346.77 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109271897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).