4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile

C12H12N4 — CID 66409699

IUPAC4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2cccc2CN)ccn1
InChIInChI=1S/C12H12N4/c13-7-11-6-10(3-4-15-11)9-16-5-1-2-12(16)8-14/h1-6H,8-9,14H2
InChIKeyUWRDYDMWNLDPOF-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.26
Rot. Bonds3

About 4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile

4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 66409699) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID66409699
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2cccc2CN)ccn1
InChIInChI=1S/C12H12N4/c13-7-11-6-10(3-4-15-11)9-16-5-1-2-12(16)8-14/h1-6H,8-9,14H2
InChIKeyUWRDYDMWNLDPOF-UHFFFAOYSA-N
XLogP1.26
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile (CID 66409699) is 4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile is N#Cc1cc(Cn2cccc2CN)ccn1.
What is the InChIKey of 4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is UWRDYDMWNLDPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-7-11-6-10(3-4-15-11)9-16-5-1-2-12(16)8-14/h1-6H,8-9,14H2.
What are the key properties of 4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile?
4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 66409699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).