2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

C15H17N5O — CID 118740295

IUPAC2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1ccncc1
InChIInChI=1S/C15H17N5O/c16-14(21)15(13-10-18-7-8-19-13)4-1-9-20(15)11-12-2-5-17-6-3-12/h2-3,5-8,10H,1,4,9,11H2,(H2,16,21)
InChIKeyLIIUKYPECDBNEY-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.85
Rot. Bonds4

About 2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 118740295) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID118740295
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1ccncc1
InChIInChI=1S/C15H17N5O/c16-14(21)15(13-10-18-7-8-19-13)4-1-9-20(15)11-12-2-5-17-6-3-12/h2-3,5-8,10H,1,4,9,11H2,(H2,16,21)
InChIKeyLIIUKYPECDBNEY-UHFFFAOYSA-N
XLogP0.85
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 118740295) is 2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is NC(=O)C1(c2cnccn2)CCCN1Cc1ccncc1.
What is the InChIKey of 2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is LIIUKYPECDBNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-14(21)15(13-10-18-7-8-19-13)4-1-9-20(15)11-12-2-5-17-6-3-12/h2-3,5-8,10H,1,4,9,11H2,(H2,16,21).
What are the key properties of 2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 118740295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).