6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile

C14H18N4 — CID 107488727

IUPAC6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCC2=CCNCC2)n1
InChIInChI=1S/C14H18N4/c1-11-2-3-13(10-15)14(18-11)17-9-6-12-4-7-16-8-5-12/h2-4,16H,5-9H2,1H3,(H,17,18)
InChIKeyUAQUYFIZKAQWTB-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.98
Rot. Bonds4

About 6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile

6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 107488727) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID107488727
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCC2=CCNCC2)n1
InChIInChI=1S/C14H18N4/c1-11-2-3-13(10-15)14(18-11)17-9-6-12-4-7-16-8-5-12/h2-4,16H,5-9H2,1H3,(H,17,18)
InChIKeyUAQUYFIZKAQWTB-UHFFFAOYSA-N
XLogP1.98
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 107489607
6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 79749151
6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
CID 63964127
3-nitro-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-4-carbonitrile
CID 107488895
6-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 113343673
2-[2-(ethylamino)ethylamino]-6-methylpyridine-3-carbonitrile
CID 62664814
2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
CID 130504273
4,6-dimethyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carboxamide
CID 107488718
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 55207434
4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 107488975
6-methyl-2-(octylamino)pyridine-3-carbonitrile
CID 113337282
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
CID 62663569

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile (CID 107488727) is 6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(NCCC2=CCNCC2)n1.
What is the InChIKey of 6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is UAQUYFIZKAQWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-2-3-13(10-15)14(18-11)17-9-6-12-4-7-16-8-5-12/h2-4,16H,5-9H2,1H3,(H,17,18).
What are the key properties of 6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile?
6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 107488727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).