4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile

C16H17N3 — CID 63886343

IUPAC4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCN(Cc1ccccc1)Cc1ccnc(C#N)c1
InChIInChI=1S/C16H17N3/c1-2-19(12-14-6-4-3-5-7-14)13-15-8-9-18-16(10-15)11-17/h3-10H,2,12-13H2,1H3
InChIKeyCBVQFZNOBOUEFL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.98
Rot. Bonds5

About 4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile

4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63886343) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63886343
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCN(Cc1ccccc1)Cc1ccnc(C#N)c1
InChIInChI=1S/C16H17N3/c1-2-19(12-14-6-4-3-5-7-14)13-15-8-9-18-16(10-15)11-17/h3-10H,2,12-13H2,1H3
InChIKeyCBVQFZNOBOUEFL-UHFFFAOYSA-N
XLogP2.98
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-cyano-4-pyridinyl)methyl-ethylamino]propanoate
CID 63881816
4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884216
2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile
CID 82135629
methyl 2-[(2-cyano-4-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63880461
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63884796
4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106638546
4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881172
4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63885763
4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884989
4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63885383
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile
CID 63884612

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile (CID 63886343) is 4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile is CCN(Cc1ccccc1)Cc1ccnc(C#N)c1.
What is the InChIKey of 4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is CBVQFZNOBOUEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-19(12-14-6-4-3-5-7-14)13-15-8-9-18-16(10-15)11-17/h3-10H,2,12-13H2,1H3.
What are the key properties of 4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile?
4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63886343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).