4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile

C11H15N3 — CID 63884796

IUPAC4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCC(C)N(C)Cc1ccnc(C#N)c1
InChIInChI=1S/C11H15N3/c1-9(2)14(3)8-10-4-5-13-11(6-10)7-12/h4-6,9H,8H2,1-3H3
InChIKeyYOSCQGYGRIVTHL-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.79
Rot. Bonds3

About 4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile

4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63884796) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63884796
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCC(C)N(C)Cc1ccnc(C#N)c1
InChIInChI=1S/C11H15N3/c1-9(2)14(3)8-10-4-5-13-11(6-10)7-12/h4-6,9H,8H2,1-3H3
InChIKeyYOSCQGYGRIVTHL-UHFFFAOYSA-N
XLogP1.79
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63886160
4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63885383
2-[(2-cyano-4-pyridinyl)methyl-methylamino]propanoic acid
CID 63883137
4-[[2-cyanoethyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880764
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 63880581
4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile
CID 63884612
4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63883628
3-[(2-cyano-4-pyridinyl)methyl-propan-2-ylamino]propanoic acid
CID 63883330
4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile
CID 64689751
4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62925478
4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884216
4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886343

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile (CID 63884796) is 4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile is CC(C)N(C)Cc1ccnc(C#N)c1.
What is the InChIKey of 4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is YOSCQGYGRIVTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-9(2)14(3)8-10-4-5-13-11(6-10)7-12/h4-6,9H,8H2,1-3H3.
What are the key properties of 4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63884796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).