5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid

C10H13N3O3 — CID 120684747

IUPAC5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C10H13N3O3/c1-6(2)13(3)9(14)7-4-12-8(5-11-7)10(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeyJMKVDBDBVXOSLZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.66
Rot. Bonds3

About 5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid

5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120684747) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120684747
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C10H13N3O3/c1-6(2)13(3)9(14)7-4-12-8(5-11-7)10(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeyJMKVDBDBVXOSLZ-UHFFFAOYSA-N
XLogP0.66
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-propan-2-ylpyrazine-2-carboxamide
CID 137457499
5-[2-hydroxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
CID 107372388
6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43430158
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530
5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685188
5-[methyl-[1-(1-methylcyclopropyl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 119152141
5-methoxypyrazine-2-carboxylic acid;hydrochloride
CID 121268158
2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid
CID 107371495
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690573
5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid
CID 121315252
5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120688951
5-bromo-6-chloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 130550438

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid (CID 120684747) is 5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid is CC(C)N(C)C(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is JMKVDBDBVXOSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6(2)13(3)9(14)7-4-12-8(5-11-7)10(15)16/h4-6H,1-3H3,(H,15,16).
What are the key properties of 5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(propan-2-yl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120684747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).