3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile

C11H15N3 — CID 62895521

IUPAC3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
SMILESCC(C)CNCc1cccnc1C#N
InChIInChI=1S/C11H15N3/c1-9(2)7-13-8-10-4-3-5-14-11(10)6-12/h3-5,9,13H,7-8H2,1-2H3
InChIKeyULGXTPYMSVLSTK-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.70
Rot. Bonds4

About 3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile

3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile (PubChem CID 62895521) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
PubChem CID62895521
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
SMILESCC(C)CNCc1cccnc1C#N
InChIInChI=1S/C11H15N3/c1-9(2)7-13-8-10-4-3-5-14-11(10)6-12/h3-5,9,13H,7-8H2,1-2H3
InChIKeyULGXTPYMSVLSTK-UHFFFAOYSA-N
XLogP1.70
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-hydroxy-2-methylbutyl)amino]methyl]pyridine-2-carbonitrile
CID 66090692
3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 82939107
3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893550
3-[(3-methylbut-2-enylamino)methyl]pyridine-2-carbonitrile
CID 106188268
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
CID 62895390
3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile
CID 62893892
2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 62893418
(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83193919
(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83191619
3-[(4-propan-2-ylanilino)methyl]pyridine-2-carbonitrile
CID 55127917
3-[(2-methylsulfonylethylamino)methyl]pyridine-2-carbonitrile
CID 62894530
3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894511

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile (CID 62895521) is 3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile is CC(C)CNCc1cccnc1C#N.
What is the InChIKey of 3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is ULGXTPYMSVLSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-9(2)7-13-8-10-4-3-5-14-11(10)6-12/h3-5,9,13H,7-8H2,1-2H3.
What are the key properties of 3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile?
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).