2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile

C12H16N4 — CID 115313360

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(N2CCCC2CN)c1C#N
InChIInChI=1S/C12H16N4/c1-9-4-5-15-12(11(9)8-14)16-6-2-3-10(16)7-13/h4-5,10H,2-3,6-7,13H2,1H3
InChIKeySETGOHVOPGZDSE-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.19
Rot. Bonds2

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile

2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile (PubChem CID 115313360) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
PubChem CID115313360
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(N2CCCC2CN)c1C#N
InChIInChI=1S/C12H16N4/c1-9-4-5-15-12(11(9)8-14)16-6-2-3-10(16)7-13/h4-5,10H,2-3,6-7,13H2,1H3
InChIKeySETGOHVOPGZDSE-UHFFFAOYSA-N
XLogP1.19
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile (CID 115313360) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile is Cc1ccnc(N2CCCC2CN)c1C#N.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile?
The InChIKey is SETGOHVOPGZDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-4-5-15-12(11(9)8-14)16-6-2-3-10(16)7-13/h4-5,10H,2-3,6-7,13H2,1H3.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile?
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 115313360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).