3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile

C15H15N3O — CID 54864086

IUPAC3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile
SMILESCCn1cc(NCc2cccc(C#N)c2)ccc1=O
InChIInChI=1S/C15H15N3O/c1-2-18-11-14(6-7-15(18)19)17-10-13-5-3-4-12(8-13)9-16/h3-8,11,17H,2,10H2,1H3
InChIKeySFQXHQLYYCRIME-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.35
Rot. Bonds4

About 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile

3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile (PubChem CID 54864086) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile
PubChem CID54864086
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile
SMILESCCn1cc(NCc2cccc(C#N)c2)ccc1=O
InChIInChI=1S/C15H15N3O/c1-2-18-11-14(6-7-15(18)19)17-10-13-5-3-4-12(8-13)9-16/h3-8,11,17H,2,10H2,1H3
InChIKeySFQXHQLYYCRIME-UHFFFAOYSA-N
XLogP2.35
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
3-[[(1-methylpyrazol-4-yl)amino]methyl]benzonitrile
CID 43534977
3-[(4-iodoanilino)methyl]benzonitrile
CID 28878768
5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
CID 54864001
4-[(3-cyanophenyl)methylamino]-N-methylbenzamide
CID 43231738
4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942779
3-[[4-(trifluoromethylsulfanyl)anilino]methyl]benzonitrile
CID 43230146
propyl 4-[(3-cyanophenyl)methylamino]benzoate
CID 78822819
4-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]-N-methylbenzamide
CID 60984866
2-(5-amino-2-oxo-1-pyridinyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62814607
3-[[4-(2,6-dioxo-1,3-diazinan-4-yl)anilino]methyl]benzonitrile
CID 154843184
3-[(quinoxalin-6-ylamino)methyl]benzonitrile
CID 60942879

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile?
The IUPAC name of 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile (CID 54864086) is 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile?
The canonical SMILES for 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile is CCn1cc(NCc2cccc(C#N)c2)ccc1=O.
What is the InChIKey of 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile?
The InChIKey is SFQXHQLYYCRIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-18-11-14(6-7-15(18)19)17-10-13-5-3-4-12(8-13)9-16/h3-8,11,17H,2,10H2,1H3.
What are the key properties of 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile?
3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile is sourced from PubChem (CID 54864086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).