2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile

C20H22N4 — CID 118290452

IUPAC2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(N2CC(CNC3CC3c3ccccc3)C2)ccc1C#N
InChIInChI=1S/C20H22N4/c1-14-17(10-21)7-8-20(23-14)24-12-15(13-24)11-22-19-9-18(19)16-5-3-2-4-6-16/h2-8,15,18-19,22H,9,11-13H2,1H3
InChIKeyRTTILXUCTFQSMA-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile

2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile (PubChem CID 118290452) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile
PubChem CID118290452
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(N2CC(CNC3CC3c3ccccc3)C2)ccc1C#N
InChIInChI=1S/C20H22N4/c1-14-17(10-21)7-8-20(23-14)24-12-15(13-24)11-22-19-9-18(19)16-5-3-2-4-6-16/h2-8,15,18-19,22H,9,11-13H2,1H3
InChIKeyRTTILXUCTFQSMA-UHFFFAOYSA-N
XLogP2.84
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)benzonitrile
CID 11256439
6-[3-(Methylamino)azetidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25101945
4-[2-Amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130576
3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{2-[4-Methyl-6-(Methylamino)pyridin-2-Yl]ethyl}benzonitrile
CID 86346620
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-(Methyl(2-(Methylamino)ethyl)amino)benzonitrile
CID 91808026
(4-Dimethylamino-benzyl)-(6-methyl-pyridin-2-yl)-amine
CID 975714
3-[2-(6-Amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
CID 134686794
3-(Benzylamino)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 749177
3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 797798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile (CID 118290452) is 2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile is Cc1nc(N2CC(CNC3CC3c3ccccc3)C2)ccc1C#N.
What is the InChIKey of 2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is RTTILXUCTFQSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-14-17(10-21)7-8-20(23-14)24-12-15(13-24)11-22-19-9-18(19)16-5-3-2-4-6-16/h2-8,15,18-19,22H,9,11-13H2,1H3.
What are the key properties of 2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile?
2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 318.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 118290452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).