6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid

C12H18N4O2 — CID 66452088

IUPAC6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NCCCN2CCCC2)n1
InChIInChI=1S/C12H18N4O2/c17-12(18)10-8-13-9-11(15-10)14-4-3-7-16-5-1-2-6-16/h8-9H,1-7H2,(H,14,15)(H,17,18)
InChIKeyNDTCBVPKSRWVDE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.07
Rot. Bonds6

About 6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid

6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid (PubChem CID 66452088) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid
PubChem CID66452088
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NCCCN2CCCC2)n1
InChIInChI=1S/C12H18N4O2/c17-12(18)10-8-13-9-11(15-10)14-4-3-7-16-5-1-2-6-16/h8-9H,1-7H2,(H,14,15)(H,17,18)
InChIKeyNDTCBVPKSRWVDE-UHFFFAOYSA-N
XLogP1.07
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid
CID 55135442
6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide
CID 133358716
6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 66450555
6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
CID 79400956
6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid
CID 113410686
6-N-ethyl-2-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,6-diamine
CID 78990309
methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
CID 66457281
6-(pent-3-ynylamino)pyrazine-2-carboxylic acid
CID 116644352
6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 106339900
6-[2-(trifluoromethylsulfanyl)ethylamino]pyrazine-2-carboxylic acid
CID 106429575
6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid
CID 114468104
methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
CID 133432183

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid (CID 66452088) is 6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid is O=C(O)c1cncc(NCCCN2CCCC2)n1.
What is the InChIKey of 6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid?
The InChIKey is NDTCBVPKSRWVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-12(18)10-8-13-9-11(15-10)14-4-3-7-16-5-1-2-6-16/h8-9H,1-7H2,(H,14,15)(H,17,18).
What are the key properties of 6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid?
6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66452088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).