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

C17H19N5O3 — CID 109278823

IUPAC4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccccc1Nc1cnc(C(=O)N2CCN(C=O)CC2)cn1
InChIInChI=1S/C17H19N5O3/c1-25-15-5-3-2-4-13(15)20-16-11-18-14(10-19-16)17(24)22-8-6-21(12-23)7-9-22/h2-5,10-12H,6-9H2,1H3,(H,19,20)
InChIKeyHHCOHHHOYGJMBJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.14
Rot. Bonds5

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

4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109278823) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109278823
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccccc1Nc1cnc(C(=O)N2CCN(C=O)CC2)cn1
InChIInChI=1S/C17H19N5O3/c1-25-15-5-3-2-4-13(15)20-16-11-18-14(10-19-16)17(24)22-8-6-21(12-23)7-9-22/h2-5,10-12H,6-9H2,1H3,(H,19,20)
InChIKeyHHCOHHHOYGJMBJ-UHFFFAOYSA-N
XLogP1.14
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Gilteritinib
CID 49803313
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10574245
2-[3-[4-[2-(2,2-dimethylpropoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10647341
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10787790
9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 73212940
6-Ethyl-3-[[3-methoxy-4-[4-(1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]-2-pyrazinecarboxamide
CID 166626288
N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 862103
[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10550225
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide
CID 10786203
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N,3-dimethyl-2-methylsulfanylimidazole-4-carboxamide
CID 11305004

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde (CID 109278823) is 4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde is COc1ccccc1Nc1cnc(C(=O)N2CCN(C=O)CC2)cn1.
What is the InChIKey of 4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is HHCOHHHOYGJMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-25-15-5-3-2-4-13(15)20-16-11-18-14(10-19-16)17(24)22-8-6-21(12-23)7-9-22/h2-5,10-12H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde?
4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 341.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109278823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).