5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid

C12H17N3O4 — CID 120685745

IUPAC5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(O)CC(C)CNC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C12H17N3O4/c1-7(3-8(2)16)4-15-11(17)9-5-14-10(6-13-9)12(18)19/h5-8,16H,3-4H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKFWBOGXTHJZXPZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.31
Rot. Bonds6

About 5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685745) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685745
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(O)CC(C)CNC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C12H17N3O4/c1-7(3-8(2)16)4-15-11(17)9-5-14-10(6-13-9)12(18)19/h5-8,16H,3-4H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyKFWBOGXTHJZXPZ-UHFFFAOYSA-N
XLogP0.31
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methyl-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685110
5-[2-(4-methylphenoxy)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685028
5-(methylamino)-N-(2-methylbutyl)pyrazine-2-carboxamide
CID 107375458
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123
N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111447022
5-[(4-hydroxy-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685644
5-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685327
6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447882
5-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2-carboxamide
CID 107378322
5-[(2-hydroxy-2,5-dimethylhexyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685725
5-(1-methylsulfanylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685710
5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685418

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120685745) is 5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid is CC(O)CC(C)CNC(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is KFWBOGXTHJZXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(3-8(2)16)4-15-11(17)9-5-14-10(6-13-9)12(18)19/h5-8,16H,3-4H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).