5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid

C15H15N5O4 — CID 174852177

IUPAC5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid
SMILESCc1nc(Nc2ccnc(C3(C(N)=O)CC3)c2)c(=O)[nH]c1C(=O)O
InChIInChI=1S/C15H15N5O4/c1-7-10(13(22)23)20-12(21)11(18-7)19-8-2-5-17-9(6-8)15(3-4-15)14(16)24/h2,5-6H,3-4H2,1H3,(H2,16,24)(H,20,21)(H,22,23)(H,17,18,19)
InChIKeyHBJGVWDLBZHXRI-UHFFFAOYSA-N
MW329.32 g/mol
LogP0.43
Rot. Bonds5

About 5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid

5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid (PubChem CID 174852177) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid
PubChem CID174852177
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid
SMILESCc1nc(Nc2ccnc(C3(C(N)=O)CC3)c2)c(=O)[nH]c1C(=O)O
InChIInChI=1S/C15H15N5O4/c1-7-10(13(22)23)20-12(21)11(18-7)19-8-2-5-17-9(6-8)15(3-4-15)14(16)24/h2,5-6H,3-4H2,1H3,(H2,16,24)(H,20,21)(H,22,23)(H,17,18,19)
InChIKeyHBJGVWDLBZHXRI-UHFFFAOYSA-N
XLogP0.43
TPSA151.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 171758467
1-[4-[[6-(5-chloro-2-fluorophenyl)-3-(2-pyrrolidin-1-ylethoxy)pyridazin-4-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 175604677
3-carbamoyl-5-methyl-6-oxo-1H-pyrazine-2-carboxylic acid
CID 12619142
1-[2-(methylamino)pyrimidin-4-yl]cyclopropane-1-carboxylic acid
CID 174795898
1-isoquinolin-1-ylcyclopropane-1-carboxamide
CID 146551631
4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid
CID 171406094
4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
CID 158111701
N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 118598620
3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide
CID 143824989
1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
CID 166173003
4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide
CID 144998145
2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid
CID 83065152

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid (CID 174852177) is 5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid is Cc1nc(Nc2ccnc(C3(C(N)=O)CC3)c2)c(=O)[nH]c1C(=O)O.
What is the InChIKey of 5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid?
The InChIKey is HBJGVWDLBZHXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-7-10(13(22)23)20-12(21)11(18-7)19-8-2-5-17-9(6-8)15(3-4-15)14(16)24/h2,5-6H,3-4H2,1H3,(H2,16,24)(H,20,21)(H,22,23)(H,17,18,19).
What are the key properties of 5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid?
5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid has a molecular weight of 329.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-carbamoylcyclopropyl)-4-pyridinyl]amino]-3-methyl-6-oxo-1H-pyrazine-2-carboxylic acid is sourced from PubChem (CID 174852177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).