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

C22H21N5O2 — CID 52937459

IUPAC3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)N3CCCC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H21N5O2/c23-20-19(21(28)25-17-6-2-1-3-7-17)26-18(14-24-20)15-8-10-16(11-9-15)22(29)27-12-4-5-13-27/h1-3,6-11,14H,4-5,12-13H2,(H2,23,24)(H,25,28)
InChIKeyZSLFRDMYLBSGBD-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.21
Rot. Bonds4

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

3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide (PubChem CID 52937459) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide
PubChem CID52937459
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(C(=O)N3CCCC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H21N5O2/c23-20-19(21(28)25-17-6-2-1-3-7-17)26-18(14-24-20)15-8-10-16(11-9-15)22(29)27-12-4-5-13-27/h1-3,6-11,14H,4-5,12-13H2,(H2,23,24)(H,25,28)
InChIKeyZSLFRDMYLBSGBD-UHFFFAOYSA-N
XLogP3.21
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.21
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-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide (CID 52937459) is 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide is Nc1ncc(-c2ccc(C(=O)N3CCCC3)cc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is ZSLFRDMYLBSGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c23-20-19(21(28)25-17-6-2-1-3-7-17)26-18(14-24-20)15-8-10-16(11-9-15)22(29)27-12-4-5-13-27/h1-3,6-11,14H,4-5,12-13H2,(H2,23,24)(H,25,28).
What are the key properties of 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide?
3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.21, 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-(pyrrolidine-1-carbonyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 52937459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).