(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C15H16N4O — CID 42942674

IUPAC(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC2c2ccncc2)cn1
InChIInChI=1S/C15H16N4O/c1-11-9-18-13(10-17-11)15(20)19-8-2-3-14(19)12-4-6-16-7-5-12/h4-7,9-10,14H,2-3,8H2,1H3
InChIKeyCGWQOOZTCGHUSI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds2

About (5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 42942674) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID42942674
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC2c2ccncc2)cn1
InChIInChI=1S/C15H16N4O/c1-11-9-18-13(10-17-11)15(20)19-8-2-3-14(19)12-4-6-16-7-5-12/h4-7,9-10,14H,2-3,8H2,1H3
InChIKeyCGWQOOZTCGHUSI-UHFFFAOYSA-N
XLogP2.16
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 42942674) is (5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is Cc1cnc(C(=O)N2CCCC2c2ccncc2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is CGWQOOZTCGHUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-9-18-13(10-17-11)15(20)19-8-2-3-14(19)12-4-6-16-7-5-12/h4-7,9-10,14H,2-3,8H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 42942674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).