3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile

C13H17N5 — CID 103385215

IUPAC3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1nccc2c1ncn2C
InChIInChI=1S/C13H17N5/c1-10(2)18(8-4-6-14)13-12-11(5-7-15-13)17(3)9-16-12/h5,7,9-10H,4,8H2,1-3H3
InChIKeyJAFARHSUQXZWJR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.10
Rot. Bonds4

About 3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile

3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile (PubChem CID 103385215) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile
PubChem CID103385215
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1nccc2c1ncn2C
InChIInChI=1S/C13H17N5/c1-10(2)18(8-4-6-14)13-12-11(5-7-15-13)17(3)9-16-12/h5,7,9-10H,4,8H2,1-3H3
InChIKeyJAFARHSUQXZWJR-UHFFFAOYSA-N
XLogP2.10
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methoxyethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]propanenitrile
CID 103385221
3-[methyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]butanenitrile
CID 103385220
3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile
CID 114055969
3-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(propan-2-yl)amino]propanenitrile
CID 106536648
N'-ethyl-N'-(1-methylimidazo[4,5-c]pyridin-4-yl)propane-1,3-diamine
CID 103385181
3-[(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)-propan-2-ylamino]propanenitrile
CID 80905178
3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]propanenitrile
CID 80905468
3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 114835463
3-[(5-methoxy-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 106503701
1-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)imidazo[4,5-c]pyridin-4-amine
CID 106619625
3-[[3-(bromomethyl)quinolin-2-yl]-propan-2-ylamino]propanenitrile
CID 107081859
N-(2-bromoethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734038

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile (CID 103385215) is 3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)c1nccc2c1ncn2C.
What is the InChIKey of 3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile?
The InChIKey is JAFARHSUQXZWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-10(2)18(8-4-6-14)13-12-11(5-7-15-13)17(3)9-16-12/h5,7,9-10H,4,8H2,1-3H3.
What are the key properties of 3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile?
3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile has a molecular weight of 243.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazo[4,5-c]pyridin-4-yl)-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 103385215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).