3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide

C22H22N6O2 — CID 59471866

IUPAC3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)N3CCNCC3)c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H22N6O2/c23-20-19(21(29)26-17-7-2-1-3-8-17)27-18(14-25-20)15-5-4-6-16(13-15)22(30)28-11-9-24-10-12-28/h1-8,13-14,24H,9-12H2,(H2,23,25)(H,26,29)
InChIKeyYBROFQZWDXCFNU-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.02
Rot. Bonds4

About 3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide

3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide (PubChem CID 59471866) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide
PubChem CID59471866
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)N3CCNCC3)c2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H22N6O2/c23-20-19(21(29)26-17-7-2-1-3-8-17)27-18(14-25-20)15-5-4-6-16(13-15)22(30)28-11-9-24-10-12-28/h1-8,13-14,24H,9-12H2,(H2,23,25)(H,26,29)
InChIKeyYBROFQZWDXCFNU-UHFFFAOYSA-N
XLogP2.02
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide (CID 59471866) is 3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide is Nc1ncc(-c2cccc(C(=O)N3CCNCC3)c2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is YBROFQZWDXCFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c23-20-19(21(29)26-17-7-2-1-3-8-17)27-18(14-25-20)15-5-4-6-16(13-15)22(30)28-11-9-24-10-12-28/h1-8,13-14,24H,9-12H2,(H2,23,25)(H,26,29).
What are the key properties of 3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-6-[3-(piperazine-1-carbonyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 59471866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).