2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile

C13H17N3 — CID 166248410

IUPAC2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N[C@@H]2C[C@H]2C(C)C)n1
InChIInChI=1S/C13H17N3/c1-8(2)11-6-12(11)16-13-5-10(7-14)4-9(3)15-13/h4-5,8,11-12H,6H2,1-3H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyFQMLLQXVCSOYFB-NWDGAFQWSA-N
MW215.30 g/mol
LogP2.72
Rot. Bonds3

About 2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile

2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile (PubChem CID 166248410) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile
PubChem CID166248410
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N[C@@H]2C[C@H]2C(C)C)n1
InChIInChI=1S/C13H17N3/c1-8(2)11-6-12(11)16-13-5-10(7-14)4-9(3)15-13/h4-5,8,11-12H,6H2,1-3H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyFQMLLQXVCSOYFB-NWDGAFQWSA-N
XLogP2.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[(2-methylcyclopropyl)amino]pyridine-4-carbonitrile
CID 114766194
2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile
CID 114769770
2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 114770152
2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile
CID 114123234
2-methyl-6-(piperidin-4-ylamino)pyridine-4-carbonitrile
CID 114769931
2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile
CID 114768292
2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766702
2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile
CID 114766475
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 114765995
2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770295
2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114770092

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile (CID 166248410) is 2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile is Cc1cc(C#N)cc(N[C@@H]2C[C@H]2C(C)C)n1.
What is the InChIKey of 2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile?
The InChIKey is FQMLLQXVCSOYFB-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H17N3/c1-8(2)11-6-12(11)16-13-5-10(7-14)4-9(3)15-13/h4-5,8,11-12H,6H2,1-3H3,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of 2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile?
2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 166248410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).