3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile

C12H15N5 — CID 103385220

IUPAC3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile
SMILESCC(CC#N)N(C)c1nccc2c1ncn2C
InChIInChI=1S/C12H15N5/c1-9(4-6-13)17(3)12-11-10(5-7-14-12)16(2)8-15-11/h5,7-9H,4H2,1-3H3
InChIKeyBQDZMXFQIAFJBE-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.71
Rot. Bonds3

About 3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile

3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile (PubChem CID 103385220) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile.

Molecular Properties

Compound Name3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile
PubChem CID103385220
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile
SMILESCC(CC#N)N(C)c1nccc2c1ncn2C
InChIInChI=1S/C12H15N5/c1-9(4-6-13)17(3)12-11-10(5-7-14-12)16(2)8-15-11/h5,7-9H,4H2,1-3H3
InChIKeyBQDZMXFQIAFJBE-UHFFFAOYSA-N
XLogP1.71
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile
CID 103385215
3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 107056611
3-[(3-aminopyrazin-2-yl)-methylamino]butanenitrile
CID 102986461
3-[2-methoxyethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]propanenitrile
CID 103385221
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile
CID 104729977
3-[methyl-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanenitrile
CID 104729975
N'-ethyl-N'-(1-methylimidazo[4,5-c]pyridin-4-yl)propane-1,3-diamine
CID 103385181
3-[(3-bromo-4-pyridinyl)-methylamino]butanenitrile
CID 104776572
3-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanenitrile
CID 63228649
3-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828255
3-[ethyl(pyridin-4-ylmethyl)amino]butanenitrile
CID 61450672
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828643

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile?
The IUPAC name of 3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile (CID 103385220) is 3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile.
What is the SMILES notation for 3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile?
The canonical SMILES for 3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile is CC(CC#N)N(C)c1nccc2c1ncn2C.
What is the InChIKey of 3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile?
The InChIKey is BQDZMXFQIAFJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-9(4-6-13)17(3)12-11-10(5-7-14-12)16(2)8-15-11/h5,7-9H,4H2,1-3H3.
What are the key properties of 3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile?
3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile has a molecular weight of 229.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile is sourced from PubChem (CID 103385220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).