2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile

C13H17N3 — CID 61442767

IUPAC2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile
SMILESCCCCN(c1cc(C#N)ccn1)C1CC1
InChIInChI=1S/C13H17N3/c1-2-3-8-16(12-4-5-12)13-9-11(10-14)6-7-15-13/h6-7,9,12H,2-5,8H2,1H3
InChIKeyKVLGPZNPQYMLTG-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.72
Rot. Bonds5

About 2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile

2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile (PubChem CID 61442767) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile
PubChem CID61442767
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile
SMILESCCCCN(c1cc(C#N)ccn1)C1CC1
InChIInChI=1S/C13H17N3/c1-2-3-8-16(12-4-5-12)13-9-11(10-14)6-7-15-13/h6-7,9,12H,2-5,8H2,1H3
InChIKeyKVLGPZNPQYMLTG-UHFFFAOYSA-N
XLogP2.72
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[butyl(cyclopropyl)amino]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-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile
CID 55004808
N-butyl-N-(4-cyano-2-pyridinyl)formamide
CID 144779744
2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
CID 61442819
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 55003502
N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
CID 62342855
2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 43273063
4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80799416
4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 80799495
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile
CID 61231862
2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
CID 102993231

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile (CID 61442767) is 2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile is CCCCN(c1cc(C#N)ccn1)C1CC1.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile?
The InChIKey is KVLGPZNPQYMLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-3-8-16(12-4-5-12)13-9-11(10-14)6-7-15-13/h6-7,9,12H,2-5,8H2,1H3.
What are the key properties of 2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile?
2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 61442767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).