4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile

C15H22N4 — CID 106638546

IUPAC4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCN(Cc1ccnc(C#N)c1)CC1CCCNC1
InChIInChI=1S/C15H22N4/c1-2-19(12-14-4-3-6-17-10-14)11-13-5-7-18-15(8-13)9-16/h5,7-8,14,17H,2-4,6,10-12H2,1H3
InChIKeyDRLHXUCATHVUGD-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.77
Rot. Bonds5

About 4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile

4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 106638546) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID106638546
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCN(Cc1ccnc(C#N)c1)CC1CCCNC1
InChIInChI=1S/C15H22N4/c1-2-19(12-14-4-3-6-17-10-14)11-13-5-7-18-15(8-13)9-16/h5,7-8,14,17H,2-4,6,10-12H2,1H3
InChIKeyDRLHXUCATHVUGD-UHFFFAOYSA-N
XLogP1.77
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880611
4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile
CID 63880785
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
2-[ethyl(piperidin-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552798
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106616666
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886343
4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884989
4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 79713800

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile (CID 106638546) is 4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile is CCN(Cc1ccnc(C#N)c1)CC1CCCNC1.
What is the InChIKey of 4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is DRLHXUCATHVUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-19(12-14-4-3-6-17-10-14)11-13-5-7-18-15(8-13)9-16/h5,7-8,14,17H,2-4,6,10-12H2,1H3.
What are the key properties of 4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 106638546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).