4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile

C14H19N3 — CID 78918805

IUPAC4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile
SMILESCC(C)CCN(c1ccnc(C#N)c1)C1CC1
InChIInChI=1S/C14H19N3/c1-11(2)6-8-17(13-3-4-13)14-5-7-16-12(9-14)10-15/h5,7,9,11,13H,3-4,6,8H2,1-2H3
InChIKeyLFQPTXSNRLANQS-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.97
Rot. Bonds5

About 4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile

4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile (PubChem CID 78918805) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile
PubChem CID78918805
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile
SMILESCC(C)CCN(c1ccnc(C#N)c1)C1CC1
InChIInChI=1S/C14H19N3/c1-11(2)6-8-17(13-3-4-13)14-5-7-16-12(9-14)10-15/h5,7,9,11,13H,3-4,6,8H2,1-2H3
InChIKeyLFQPTXSNRLANQS-UHFFFAOYSA-N
XLogP2.97
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyano-4-pyridinyl)-cyclopropylamino]propanoic acid
CID 62924637
4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile
CID 55157250
4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 55205925
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 62936059
4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile
CID 62491803
4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62925478
4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile
CID 62927034
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051
4-[ethyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62924784
4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile
CID 113285617
2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 78989121
4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 79719702

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile (CID 78918805) is 4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile is CC(C)CCN(c1ccnc(C#N)c1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile?
The InChIKey is LFQPTXSNRLANQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)6-8-17(13-3-4-13)14-5-7-16-12(9-14)10-15/h5,7,9,11,13H,3-4,6,8H2,1-2H3.
What are the key properties of 4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile?
4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 78918805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).