6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid

C12H16N4O3 — CID 79400956

IUPAC6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(CCCNc1cncc(C(=O)O)n1)NC1CC1
InChIInChI=1S/C12H16N4O3/c17-11(15-8-3-4-8)2-1-5-14-10-7-13-6-9(16-10)12(18)19/h6-8H,1-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyKUSOWGLIKZLRLH-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.65
Rot. Bonds7

About 6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid

6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid (PubChem CID 79400956) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
PubChem CID79400956
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(CCCNc1cncc(C(=O)O)n1)NC1CC1
InChIInChI=1S/C12H16N4O3/c17-11(15-8-3-4-8)2-1-5-14-10-7-13-6-9(16-10)12(18)19/h6-8H,1-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyKUSOWGLIKZLRLH-UHFFFAOYSA-N
XLogP0.65
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
CID 79825438
N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide
CID 79401055
methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
CID 66457492
6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid
CID 113410686
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 78918775
N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80835175
N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121
N-cyclopropyl-4-[(3,5,6-trichloro-2-pyridinyl)amino]butanamide
CID 102751454
4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
CID 115488712
6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 66450555
N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
CID 79401058
6-(cycloheptylamino)pyrazine-2-carboxylic acid
CID 66458367

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid (CID 79400956) is 6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid is O=C(CCCNc1cncc(C(=O)O)n1)NC1CC1.
What is the InChIKey of 6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is KUSOWGLIKZLRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-11(15-8-3-4-8)2-1-5-14-10-7-13-6-9(16-10)12(18)19/h6-8H,1-5H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid?
6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 79400956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).