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

C14H21N3 — CID 63885383

IUPAC4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCC(C)CN(Cc1ccnc(C#N)c1)C(C)C
InChIInChI=1S/C14H21N3/c1-11(2)9-17(12(3)4)10-13-5-6-16-14(7-13)8-15/h5-7,11-12H,9-10H2,1-4H3
InChIKeySAQWYIAJKAGHTQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.82
Rot. Bonds5

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

4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63885383) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63885383
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCC(C)CN(Cc1ccnc(C#N)c1)C(C)C
InChIInChI=1S/C14H21N3/c1-11(2)9-17(12(3)4)10-13-5-6-16-14(7-13)8-15/h5-7,11-12H,9-10H2,1-4H3
InChIKeySAQWYIAJKAGHTQ-UHFFFAOYSA-N
XLogP2.82
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile (CID 63885383) is 4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile is CC(C)CN(Cc1ccnc(C#N)c1)C(C)C.
What is the InChIKey of 4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is SAQWYIAJKAGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11(2)9-17(12(3)4)10-13-5-6-16-14(7-13)8-15/h5-7,11-12H,9-10H2,1-4H3.
What are the key properties of 4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile?
4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 231.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63885383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).