2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile

C17H17N3 — CID 133430985

IUPAC2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile
SMILESCC1CCc2ccccc2C1Nc1ncccc1C#N
InChIInChI=1S/C17H17N3/c1-12-8-9-13-5-2-3-7-15(13)16(12)20-17-14(11-18)6-4-10-19-17/h2-7,10,12,16H,8-9H2,1H3,(H,19,20)
InChIKeyQPHYAWCXFXVKOW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.69
Rot. Bonds2

About 2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile

2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile (PubChem CID 133430985) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile
PubChem CID133430985
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile
SMILESCC1CCc2ccccc2C1Nc1ncccc1C#N
InChIInChI=1S/C17H17N3/c1-12-8-9-13-5-2-3-7-15(13)16(12)20-17-14(11-18)6-4-10-19-17/h2-7,10,12,16H,8-9H2,1H3,(H,19,20)
InChIKeyQPHYAWCXFXVKOW-UHFFFAOYSA-N
XLogP3.69
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
N-[(1R,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyrido[2,3-b]pyrazin-6-amine
CID 97328892
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
CID 115880942
2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
CID 103081967
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 95980423
2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 74885215
2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonitrile
CID 30690579
2-[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]pyridine-3-carbonitrile
CID 75484155
2-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]amino]pyridine-3-carbonitrile
CID 97231256
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 133292361

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile (CID 133430985) is 2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile is CC1CCc2ccccc2C1Nc1ncccc1C#N.
What is the InChIKey of 2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile?
The InChIKey is QPHYAWCXFXVKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-8-9-13-5-2-3-7-15(13)16(12)20-17-14(11-18)6-4-10-19-17/h2-7,10,12,16H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile?
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133430985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).