6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile

C18H24N4 — CID 22236362

IUPAC6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile
SMILESCN(C)CC#CC1CCC(N(C)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C18H24N4/c1-21(2)12-4-5-15-6-9-17(10-7-15)22(3)18-11-8-16(13-19)14-20-18/h8,11,14-15,17H,6-7,9-10,12H2,1-3H3
InChIKeyNWZUJJJRVMFUTO-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.51
Rot. Bonds3

About 6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile

6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile (PubChem CID 22236362) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile
PubChem CID22236362
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile
SMILESCN(C)CC#CC1CCC(N(C)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C18H24N4/c1-21(2)12-4-5-15-6-9-17(10-7-15)22(3)18-11-8-16(13-19)14-20-18/h8,11,14-15,17H,6-7,9-10,12H2,1-3H3
InChIKeyNWZUJJJRVMFUTO-UHFFFAOYSA-N
XLogP2.51
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
5-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-pyridin-2-ylamine
CID 10357631
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
3-(1-Pyridin-2-yl-1H-pyrrol-3-yl)-benzonitrile
CID 10131083
6-{methyl[(1R)-1-phenylethyl]amino}-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11738282
2-{4-[3-(6-Methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl}-5-phenylnicotinonitrile
CID 87550659
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
CID 3042935
1-(4-Phenyl-cyclohex-3-enyl)-4-pyridin-2-yl-piperazine
CID 15079635
2-Amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile
CID 71457777

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile (CID 22236362) is 6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile is CN(C)CC#CC1CCC(N(C)c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile?
The InChIKey is NWZUJJJRVMFUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-21(2)12-4-5-15-6-9-17(10-7-15)22(3)18-11-8-16(13-19)14-20-18/h8,11,14-15,17H,6-7,9-10,12H2,1-3H3.
What are the key properties of 6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile?
6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile has a molecular weight of 296.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 22236362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).