5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide

C22H21N5O2 — CID 166399749

IUPAC5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCCC2)c1)c1cnc(-c2ccccc2)cn1
InChIInChI=1S/C22H21N5O2/c28-21(20-15-23-19(14-24-20)16-7-2-1-3-8-16)25-17-9-6-10-18(13-17)26-22(29)27-11-4-5-12-27/h1-3,6-10,13-15H,4-5,11-12H2,(H,25,28)(H,26,29)
InChIKeyOJWMSOHGKMLYMI-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.02
Rot. Bonds4

About 5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide

5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide (PubChem CID 166399749) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide
PubChem CID166399749
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCCC2)c1)c1cnc(-c2ccccc2)cn1
InChIInChI=1S/C22H21N5O2/c28-21(20-15-23-19(14-24-20)16-7-2-1-3-8-16)25-17-9-6-10-18(13-17)26-22(29)27-11-4-5-12-27/h1-3,6-10,13-15H,4-5,11-12H2,(H,25,28)(H,26,29)
InChIKeyOJWMSOHGKMLYMI-UHFFFAOYSA-N
XLogP4.02
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
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2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide
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4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
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N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
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N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
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5-methyl-N-(4-phenylphenyl)pyrazine-2-carboxamide
CID 7926006
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936
5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide (CID 166399749) is 5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide is O=C(Nc1cccc(NC(=O)N2CCCC2)c1)c1cnc(-c2ccccc2)cn1.
What is the InChIKey of 5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide?
The InChIKey is OJWMSOHGKMLYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-21(20-15-23-19(14-24-20)16-7-2-1-3-8-16)25-17-9-6-10-18(13-17)26-22(29)27-11-4-5-12-27/h1-3,6-10,13-15H,4-5,11-12H2,(H,25,28)(H,26,29).
What are the key properties of 5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide?
5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[3-(pyrrolidine-1-carbonylamino)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 166399749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).