5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid

C16H15Cl2N3O4 — CID 175390897

IUPAC5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nc(C(=O)O)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O4/c1-16(2,3)25-15(24)21-13-12(19-7-10(20-13)14(22)23)8-5-4-6-9(17)11(8)18/h4-7H,1-3H3,(H,22,23)(H,20,21,24)
InChIKeyHQTSNBNEPBKTLS-UHFFFAOYSA-N
MW384.22 g/mol
LogP4.50
Rot. Bonds3

About 5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid

5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid (PubChem CID 175390897) has the molecular formula C16H15Cl2N3O4 and a molecular weight of 384.22 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid
PubChem CID175390897
Molecular FormulaC16H15Cl2N3O4
Molecular Weight384.22 g/mol
Exact Mass383.04
IUPAC Name5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nc(C(=O)O)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O4/c1-16(2,3)25-15(24)21-13-12(19-7-10(20-13)14(22)23)8-5-4-6-9(17)11(8)18/h4-7H,1-3H3,(H,22,23)(H,20,21,24)
InChIKeyHQTSNBNEPBKTLS-UHFFFAOYSA-N
XLogP4.50
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid 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

tert-butyl N-[6-chloro-5-cyano-3-(2,3-dichlorophenyl)pyrazin-2-yl]carbamate
CID 135240598
tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
CID 46318089
3-[3-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid
CID 90693702
tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate
CID 71743183
tert-butyl 3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,3-b]pyridine-1-carboxylate
CID 150337997
tert-butyl N-[1-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-4-methylpiperidin-4-yl]carbamate
CID 135257079
2-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 2757209
tert-butyl N-[8-(3-aminophenyl)-6-(2-chlorophenyl)quinazolin-2-yl]carbamate
CID 134276267
tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate
CID 138106122
6-(2,3-dichlorophenyl)-5-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxylic acid
CID 138735000
tert-butyl N-[(2,3-dichlorophenyl)sulfonylamino]carbamate
CID 8500966
tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
CID 102215306

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid (CID 175390897) is 5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid is CC(C)(C)OC(=O)Nc1nc(C(=O)O)cnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid?
The InChIKey is HQTSNBNEPBKTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O4/c1-16(2,3)25-15(24)21-13-12(19-7-10(20-13)14(22)23)8-5-4-6-9(17)11(8)18/h4-7H,1-3H3,(H,22,23)(H,20,21,24).
What are the key properties of 5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid?
5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid has a molecular weight of 384.22 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 175390897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).