2-(dipropylamino)pyridine-4-carbonitrile

C12H17N3 — CID 14640854

IUPAC2-(dipropylamino)pyridine-4-carbonitrile
SMILESCCCN(CCC)c1cc(C#N)ccn1
InChIInChI=1S/C12H17N3/c1-3-7-15(8-4-2)12-9-11(10-13)5-6-14-12/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyIEQZZRBCKFLPDL-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.58
Rot. Bonds5

About 2-(dipropylamino)pyridine-4-carbonitrile

2-(dipropylamino)pyridine-4-carbonitrile (PubChem CID 14640854) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(dipropylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(dipropylamino)pyridine-4-carbonitrile
PubChem CID14640854
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(dipropylamino)pyridine-4-carbonitrile
SMILESCCCN(CCC)c1cc(C#N)ccn1
InChIInChI=1S/C12H17N3/c1-3-7-15(8-4-2)12-9-11(10-13)5-6-14-12/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyIEQZZRBCKFLPDL-UHFFFAOYSA-N
XLogP2.58
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 2-(dipropylamino)pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile
CID 60877236
2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
CID 102993231
N-butyl-N-(4-cyano-2-pyridinyl)formamide
CID 144779744
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 79390747
2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile
CID 55004808
2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 43273063
1-(dipropylamino)isoquinoline-7-carbonitrile
CID 21085197
2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile
CID 61442767
2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
CID 60876115
2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 62115648
2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile
CID 79858347

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(dipropylamino)pyridine-4-carbonitrile (CID 14640854) is 2-(dipropylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(dipropylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(dipropylamino)pyridine-4-carbonitrile is CCCN(CCC)c1cc(C#N)ccn1.
What is the InChIKey of 2-(dipropylamino)pyridine-4-carbonitrile?
The InChIKey is IEQZZRBCKFLPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-7-15(8-4-2)12-9-11(10-13)5-6-14-12/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(dipropylamino)pyridine-4-carbonitrile?
2-(dipropylamino)pyridine-4-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 14640854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).