3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide

C23H23N5O2 — CID 52937553

IUPAC3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)N3CCCCC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H23N5O2/c24-21-20(22(29)26-18-7-3-1-4-8-18)27-19(15-25-21)16-9-11-17(12-10-16)23(30)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,24,25)(H,26,29)
InChIKeyUCEZEWJMBDOTBH-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.60
Rot. Bonds4

About 3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide

3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide (PubChem CID 52937553) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide
PubChem CID52937553
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)N3CCCCC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H23N5O2/c24-21-20(22(29)26-18-7-3-1-4-8-18)27-19(15-25-21)16-9-11-17(12-10-16)23(30)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,24,25)(H,26,29)
InChIKeyUCEZEWJMBDOTBH-UHFFFAOYSA-N
XLogP3.60
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide (CID 52937553) is 3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide is Nc1ncc(-c2ccc(C(=O)N3CCCCC3)cc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is UCEZEWJMBDOTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c24-21-20(22(29)26-18-7-3-1-4-8-18)27-19(15-25-21)16-9-11-17(12-10-16)23(30)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,24,25)(H,26,29).
What are the key properties of 3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-6-[4-(piperidine-1-carbonyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 52937553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).