2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile

C14H20N4 — CID 93453724

IUPAC2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N[C@@H]2CCCC[C@H]2N)n1
InChIInChI=1S/C14H20N4/c1-9-7-10(2)17-14(11(9)8-15)18-13-6-4-3-5-12(13)16/h7,12-13H,3-6,16H2,1-2H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyOMAVEGCDDWXURA-CHWSQXEVSA-N
MW244.34 g/mol
LogP2.25
Rot. Bonds2

About 2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile

2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 93453724) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID93453724
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N[C@@H]2CCCC[C@H]2N)n1
InChIInChI=1S/C14H20N4/c1-9-7-10(2)17-14(11(9)8-15)18-13-6-4-3-5-12(13)16/h7,12-13H,3-6,16H2,1-2H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyOMAVEGCDDWXURA-CHWSQXEVSA-N
XLogP2.25
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051795
2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 56879008
2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552420
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
CID 93453704
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 43428254
2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66185869
3-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-4-carbonitrile
CID 102738669
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209752
2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 104576829
2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 83017107
trans-(1R,2R)-2-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1,2-diamine
CID 97162819

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile (CID 93453724) is 2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N[C@@H]2CCCC[C@H]2N)n1.
What is the InChIKey of 2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is OMAVEGCDDWXURA-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-7-10(2)17-14(11(9)8-15)18-13-6-4-3-5-12(13)16/h7,12-13H,3-6,16H2,1-2H3,(H,17,18)/t12-,13-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile?
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 93453724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).