3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile

C16H17N3O — CID 62921449

IUPAC3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
SMILESCOc1cccc(CN(C)Cc2cccnc2C#N)c1
InChIInChI=1S/C16H17N3O/c1-19(11-13-5-3-7-15(9-13)20-2)12-14-6-4-8-18-16(14)10-17/h3-9H,11-12H2,1-2H3
InChIKeyBTVMSCASWSZTPG-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.59
Rot. Bonds5

About 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile

3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62921449) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
PubChem CID62921449
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
SMILESCOc1cccc(CN(C)Cc2cccnc2C#N)c1
InChIInChI=1S/C16H17N3O/c1-19(11-13-5-3-7-15(9-13)20-2)12-14-6-4-8-18-16(14)10-17/h3-9H,11-12H2,1-2H3
InChIKeyBTVMSCASWSZTPG-UHFFFAOYSA-N
XLogP2.59
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 60646313
3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921272
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62985541
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894551
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile
CID 55104413
3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile
CID 79381926
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 62921108
3-[[(2-hydrazinyl-3-pyridinyl)methyl-methylamino]methyl]benzonitrile
CID 62968285
N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide
CID 52931748

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile (CID 62921449) is 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile is COc1cccc(CN(C)Cc2cccnc2C#N)c1.
What is the InChIKey of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is BTVMSCASWSZTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(11-13-5-3-7-15(9-13)20-2)12-14-6-4-8-18-16(14)10-17/h3-9H,11-12H2,1-2H3.
What are the key properties of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62921449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).