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

C10H9N5 — CID 165472539

IUPAC2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Cn2ccnc2N)c1
InChIInChI=1S/C10H9N5/c11-6-8-1-2-13-9(5-8)7-15-4-3-14-10(15)12/h1-5H,7H2,(H2,12,14)
InChIKeyQADGZYVGWQQRPO-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.78
Rot. Bonds2

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

2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile (PubChem CID 165472539) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile
PubChem CID165472539
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Cn2ccnc2N)c1
InChIInChI=1S/C10H9N5/c11-6-8-1-2-13-9(5-8)7-15-4-3-14-10(15)12/h1-5H,7H2,(H2,12,14)
InChIKeyQADGZYVGWQQRPO-UHFFFAOYSA-N
XLogP0.78
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(aminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221228
1-[(2-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 114554203
1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine
CID 60861612
2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile
CID 121337972
2-(3-methylbut-3-enyl)pyridine-4-carbonitrile
CID 10654779
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692
1-[(2-chlorophenyl)methyl]imidazol-2-amine
CID 54593550
2-[[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]pyridine-4-carbonitrile
CID 91796024
ethyl 3-(4-cyano-2-pyridinyl)propanoate
CID 67528036
3-chloro-4-[(2-methylimidazol-1-yl)methyl]benzonitrile
CID 57314606
2-[2-(4-aminophenyl)imidazol-1-yl]pyridine-4-carbonitrile
CID 61177175
2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile
CID 139407498

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile (CID 165472539) is 2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile is N#Cc1ccnc(Cn2ccnc2N)c1.
What is the InChIKey of 2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile?
The InChIKey is QADGZYVGWQQRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-6-8-1-2-13-9(5-8)7-15-4-3-14-10(15)12/h1-5H,7H2,(H2,12,14).
What are the key properties of 2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile?
2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile is sourced from PubChem (CID 165472539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).