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

C12H17N3 — CID 62927034

IUPAC4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile
SMILESCCCN(c1ccnc(C#N)c1)C(C)C
InChIInChI=1S/C12H17N3/c1-4-7-15(10(2)3)12-5-6-14-11(8-12)9-13/h5-6,8,10H,4,7H2,1-3H3
InChIKeyAYKWRIYYHYLURM-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.58
Rot. Bonds4

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

4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile (PubChem CID 62927034) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile
PubChem CID62927034
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile
SMILESCCCN(c1ccnc(C#N)c1)C(C)C
InChIInChI=1S/C12H17N3/c1-4-7-15(10(2)3)12-5-6-14-11(8-12)9-13/h5-6,8,10H,4,7H2,1-3H3
InChIKeyAYKWRIYYHYLURM-UHFFFAOYSA-N
XLogP2.58
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile (CID 62927034) is 4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile is CCCN(c1ccnc(C#N)c1)C(C)C.
What is the InChIKey of 4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile?
The InChIKey is AYKWRIYYHYLURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-7-15(10(2)3)12-5-6-14-11(8-12)9-13/h5-6,8,10H,4,7H2,1-3H3.
What are the key properties of 4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile?
4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 62927034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).