4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde

C14H21N5O2 — CID 109272937

IUPAC4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)CNc1cnc(C(=O)N2CCN(C=O)CC2)cn1
InChIInChI=1S/C14H21N5O2/c1-11(2)7-16-13-9-15-12(8-17-13)14(21)19-5-3-18(10-20)4-6-19/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyQKFBGGHJAQJGLW-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.46
Rot. Bonds5

About 4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde

4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109272937) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109272937
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)CNc1cnc(C(=O)N2CCN(C=O)CC2)cn1
InChIInChI=1S/C14H21N5O2/c1-11(2)7-16-13-9-15-12(8-17-13)14(21)19-5-3-18(10-20)4-6-19/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyQKFBGGHJAQJGLW-UHFFFAOYSA-N
XLogP0.46
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
CID 109272935
4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278771
4-[5-(3,5-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278795
4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278838
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
4-[5-(2,6-difluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278873
4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278823
4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278797
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
CID 109272979
(4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272158
[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286649
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde (CID 109272937) is 4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde is CC(C)CNc1cnc(C(=O)N2CCN(C=O)CC2)cn1.
What is the InChIKey of 4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is QKFBGGHJAQJGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11(2)7-16-13-9-15-12(8-17-13)14(21)19-5-3-18(10-20)4-6-19/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 291.35 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109272937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).