5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid

C16H14ClN3O3 — CID 120690298

IUPAC5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCC2(c3ccccc3Cl)CC2)cn1
InChIInChI=1S/C16H14ClN3O3/c17-11-4-2-1-3-10(11)16(5-6-16)9-20-14(21)12-7-19-13(8-18-12)15(22)23/h1-4,7-8H,5-6,9H2,(H,20,21)(H,22,23)
InChIKeyOXKRXMHZFKBDHN-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.29
Rot. Bonds5

About 5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid

5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120690298) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120690298
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCC2(c3ccccc3Cl)CC2)cn1
InChIInChI=1S/C16H14ClN3O3/c17-11-4-2-1-3-10(11)16(5-6-16)9-20-14(21)12-7-19-13(8-18-12)15(22)23/h1-4,7-8H,5-6,9H2,(H,20,21)(H,22,23)
InChIKeyOXKRXMHZFKBDHN-UHFFFAOYSA-N
XLogP2.29
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-phenylsulfanylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685576
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119183961
3-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 84595053
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110444314
5-[[1-(3-bromophenyl)cyclobutyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685220
N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634675
5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 52556515
4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122008314
2-(aminomethyl)-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119777761
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide
CID 46975477
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46975247

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid (CID 120690298) is 5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NCC2(c3ccccc3Cl)CC2)cn1.
What is the InChIKey of 5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is OXKRXMHZFKBDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-11-4-2-1-3-10(11)16(5-6-16)9-20-14(21)12-7-19-13(8-18-12)15(22)23/h1-4,7-8H,5-6,9H2,(H,20,21)(H,22,23).
What are the key properties of 5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid?
5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 331.76 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120690298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).