6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile

C13H17N3 — CID 93287060

IUPAC6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
SMILESC[C@@H]1CCC[C@H](Nc2ccc(C#N)cn2)C1
InChIInChI=1S/C13H17N3/c1-10-3-2-4-12(7-10)16-13-6-5-11(8-14)9-15-13/h5-6,9-10,12H,2-4,7H2,1H3,(H,15,16)/t10-,12+/m1/s1
InChIKeyAHQYOMGHFQAWQW-PWSUYJOCSA-N
MW215.30 g/mol
LogP2.94
Rot. Bonds2

About 6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile

6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile (PubChem CID 93287060) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
PubChem CID93287060
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
SMILESC[C@@H]1CCC[C@H](Nc2ccc(C#N)cn2)C1
InChIInChI=1S/C13H17N3/c1-10-3-2-4-12(7-10)16-13-6-5-11(8-14)9-15-13/h5-6,9-10,12H,2-4,7H2,1H3,(H,15,16)/t10-,12+/m1/s1
InChIKeyAHQYOMGHFQAWQW-PWSUYJOCSA-N
XLogP2.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
2-(Benzylamino)pyridine
CID 23362
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-Phenyl-2-pyridinamine
CID 105097
Urea, 1-cyclohexyl-3-(2-pyridyl)-2-thio-
CID 721803
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea
CID 686648
Thiourea, N-(2-phenylethyl)-N'-2-pyridinyl-
CID 799959

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile (CID 93287060) is 6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile is C[C@@H]1CCC[C@H](Nc2ccc(C#N)cn2)C1.
What is the InChIKey of 6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile?
The InChIKey is AHQYOMGHFQAWQW-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-3-2-4-12(7-10)16-13-6-5-11(8-14)9-15-13/h5-6,9-10,12H,2-4,7H2,1H3,(H,15,16)/t10-,12+/m1/s1.
What are the key properties of 6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile?
6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 93287060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).