4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile

C15H16N4 — CID 82738010

IUPAC4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCCc1cccnc1CNCc1ccnc(C#N)c1
InChIInChI=1S/C15H16N4/c1-2-13-4-3-6-19-15(13)11-17-10-12-5-7-18-14(8-12)9-16/h3-8,17H,2,10-11H2,1H3
InChIKeyZRNBSBDOJCHXAC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.20
Rot. Bonds5

About 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile

4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 82738010) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile
PubChem CID82738010
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESCCc1cccnc1CNCc1ccnc(C#N)c1
InChIInChI=1S/C15H16N4/c1-2-13-4-3-6-19-15(13)11-17-10-12-5-7-18-14(8-12)9-16/h3-8,17H,2,10-11H2,1H3
InChIKeyZRNBSBDOJCHXAC-UHFFFAOYSA-N
XLogP2.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106787782
3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-5-fluorobenzonitrile
CID 82738847
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
1-(4-chloro-3-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732090
4-[[(3-ethoxyphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63881515
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271
4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881885
N-[(3-ethyl-2-pyridinyl)methyl]-1-pyrazin-2-ylmethanamine
CID 82733194
N-[(3-ethyl-2-pyridinyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 102881002
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 82732935
N-[(3-ethyl-2-pyridinyl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 82732206

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile (CID 82738010) is 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile is CCc1cccnc1CNCc1ccnc(C#N)c1.
What is the InChIKey of 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is ZRNBSBDOJCHXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-13-4-3-6-19-15(13)11-17-10-12-5-7-18-14(8-12)9-16/h3-8,17H,2,10-11H2,1H3.
What are the key properties of 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile?
4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 82738010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).