6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile

C14H18N4 — CID 133320035

IUPAC6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile
SMILESC=CCN1CCC(Nc2cccc(C#N)n2)CC1
InChIInChI=1S/C14H18N4/c1-2-8-18-9-6-12(7-10-18)16-14-5-3-4-13(11-15)17-14/h2-5,12H,1,6-10H2,(H,16,17)
InChIKeyPZRAOVMNLGVOEN-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.02
Rot. Bonds4

About 6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile

6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile (PubChem CID 133320035) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile
PubChem CID133320035
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile
SMILESC=CCN1CCC(Nc2cccc(C#N)n2)CC1
InChIInChI=1S/C14H18N4/c1-2-8-18-9-6-12(7-10-18)16-14-5-3-4-13(11-15)17-14/h2-5,12H,1,6-10H2,(H,16,17)
InChIKeyPZRAOVMNLGVOEN-UHFFFAOYSA-N
XLogP2.02
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
CID 79111014
6-(piperidin-4-ylamino)pyridine-2-carbonitrile
CID 64589581
6-[(3-methylcyclopentyl)amino]pyridine-2-carbonitrile
CID 114546536
6-(oxolan-3-ylamino)pyridine-2-carbonitrile
CID 80713825
6-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbonitrile
CID 65471253
6-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
CID 64587165
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile
CID 113336612
6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 103680905
6-[[(3R,5S)-7-(cyclopropylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile
CID 97371072
6-[[(1R,2R)-2-methylcyclopropyl]amino]pyridine-2-carbonitrile
CID 126987207
6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 62406600
6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile
CID 125130965

Frequently Asked Questions

What is the IUPAC name of 6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile (CID 133320035) is 6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile is C=CCN1CCC(Nc2cccc(C#N)n2)CC1.
What is the InChIKey of 6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
The InChIKey is PZRAOVMNLGVOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-8-18-9-6-12(7-10-18)16-14-5-3-4-13(11-15)17-14/h2-5,12H,1,6-10H2,(H,16,17).
What are the key properties of 6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile?
6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133320035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).