methyl(2-pyridin-3-ylethyl)cyanamide

C9H11N3 — CID 117043571

IUPACmethyl(2-pyridin-3-ylethyl)cyanamide
SMILESCN(C#N)CCc1cccnc1
InChIInChI=1S/C9H11N3/c1-12(8-10)6-4-9-3-2-5-11-7-9/h2-3,5,7H,4,6H2,1H3
InChIKeyGSMVYJXBRWTWTP-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.04
Rot. Bonds3

About methyl(2-pyridin-3-ylethyl)cyanamide

methyl(2-pyridin-3-ylethyl)cyanamide (PubChem CID 117043571) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is methyl(2-pyridin-3-ylethyl)cyanamide.

Molecular Properties

Compound Namemethyl(2-pyridin-3-ylethyl)cyanamide
PubChem CID117043571
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Namemethyl(2-pyridin-3-ylethyl)cyanamide
SMILESCN(C#N)CCc1cccnc1
InChIInChI=1S/C9H11N3/c1-12(8-10)6-4-9-3-2-5-11-7-9/h2-3,5,7H,4,6H2,1H3
InChIKeyGSMVYJXBRWTWTP-UHFFFAOYSA-N
XLogP1.04
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(2-pyridin-3-ylethyl)amino]propanenitrile
CID 63264562
2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile
CID 63264561
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 112708855
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
2-(dimethylamino)-3-pyridin-3-ylpropanenitrile
CID 82074886
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
2-methyl-N-propyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 59134912
1-N,4-dimethyl-1-N-(2-pyridin-3-ylethyl)pentane-1,3-diamine
CID 81490426
4-[methyl(2-pyridin-3-ylethyl)amino]cyclohexan-1-one
CID 79119944
2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115251756

Frequently Asked Questions

What is the IUPAC name of methyl(2-pyridin-3-ylethyl)cyanamide?
The IUPAC name of methyl(2-pyridin-3-ylethyl)cyanamide (CID 117043571) is methyl(2-pyridin-3-ylethyl)cyanamide.
What is the SMILES notation for methyl(2-pyridin-3-ylethyl)cyanamide?
The canonical SMILES for methyl(2-pyridin-3-ylethyl)cyanamide is CN(C#N)CCc1cccnc1.
What is the InChIKey of methyl(2-pyridin-3-ylethyl)cyanamide?
The InChIKey is GSMVYJXBRWTWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-12(8-10)6-4-9-3-2-5-11-7-9/h2-3,5,7H,4,6H2,1H3.
What are the key properties of methyl(2-pyridin-3-ylethyl)cyanamide?
methyl(2-pyridin-3-ylethyl)cyanamide has a molecular weight of 161.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-pyridin-3-ylethyl)cyanamide is sourced from PubChem (CID 117043571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).