3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

C25H30N8O2 — CID 10277124

IUPAC3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1
InChIInChI=1S/C25H30N8O2/c1-32-12-14-33(15-13-32)11-3-10-28-24(34)19-7-5-18(6-8-19)21-17-29-23(26)22(31-21)25(35)30-20-4-2-9-27-16-20/h2,4-9,16-17H,3,10-15H2,1H3,(H2,26,29)(H,28,34)(H,30,35)
InChIKeyWEIYQUWKAFXRAW-UHFFFAOYSA-N
MW474.57 g/mol
LogP1.74
Rot. Bonds8

About 3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 10277124) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID10277124
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1
InChIInChI=1S/C25H30N8O2/c1-32-12-14-33(15-13-32)11-3-10-28-24(34)19-7-5-18(6-8-19)21-17-29-23(26)22(31-21)25(35)30-20-4-2-9-27-16-20/h2,4-9,16-17H,3,10-15H2,1H3,(H2,26,29)(H,28,34)(H,30,35)
InChIKeyWEIYQUWKAFXRAW-UHFFFAOYSA-N
XLogP1.74
TPSA129.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 160987828
3-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10345359
3-amino-6-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
CID 10207407
3-amino-6-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
CID 10163071
3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10297008
2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate
CID 86661489
3-amino-6-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
CID 10164393
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10367481

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 10277124) is 3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is CN1CCN(CCCNC(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1.
What is the InChIKey of 3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is WEIYQUWKAFXRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-32-12-14-33(15-13-32)11-3-10-28-24(34)19-7-5-18(6-8-19)21-17-29-23(26)22(31-21)25(35)30-20-4-2-9-27-16-20/h2,4-9,16-17H,3,10-15H2,1H3,(H2,26,29)(H,28,34)(H,30,35).
What are the key properties of 3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10277124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).