3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile

C15H12ClN3O2 — CID 142549585

IUPAC3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1CNc1ncc(C=O)cc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-21-14-3-2-10(6-17)4-12(14)8-19-15-13(16)5-11(9-20)7-18-15/h2-5,7,9H,8H2,1H3,(H,18,19)
InChIKeyCUJGBBZSZKOJCE-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.04
Rot. Bonds5

About 3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile

3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile (PubChem CID 142549585) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile.

Molecular Properties

Compound Name3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile
PubChem CID142549585
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)cc1CNc1ncc(C=O)cc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-21-14-3-2-10(6-17)4-12(14)8-19-15-13(16)5-11(9-20)7-18-15/h2-5,7,9H,8H2,1H3,(H,18,19)
InChIKeyCUJGBBZSZKOJCE-UHFFFAOYSA-N
XLogP3.04
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile;methanol;2-[3-(methylaminomethyl)cyclobutyl]acetaldehyde
CID 142549584
3-[(4-bromo-3-chloroanilino)methyl]-4-methoxybenzonitrile
CID 107619778
3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide
CID 106276677
3-[(2-chloro-6-formylphenoxy)methyl]-4-methoxybenzonitrile
CID 115955624
4-methoxy-3-[(pent-3-ynylamino)methyl]benzonitrile
CID 116643677
4-methoxy-3-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzonitrile
CID 114955600
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzonitrile
CID 102664295
4-methoxy-3-[[(3-methyl-4-pyridinyl)methylamino]methyl]benzonitrile
CID 114699786
3-[(5-formyl-2-methoxyphenyl)methoxy]-4-methylbenzonitrile
CID 103760374
3-chloro-4-[(2-chloro-4-formylphenoxy)methyl]benzonitrile
CID 102666727
4-methoxy-3-[(2,3,3-trimethylbutylamino)methyl]benzonitrile
CID 83143462
4-methoxy-3-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzonitrile
CID 106399512

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile?
The IUPAC name of 3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile (CID 142549585) is 3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile.
What is the SMILES notation for 3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile?
The canonical SMILES for 3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile is COc1ccc(C#N)cc1CNc1ncc(C=O)cc1Cl.
What is the InChIKey of 3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile?
The InChIKey is CUJGBBZSZKOJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-14-3-2-10(6-17)4-12(14)8-19-15-13(16)5-11(9-20)7-18-15/h2-5,7,9H,8H2,1H3,(H,18,19).
What are the key properties of 3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile?
3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile has a molecular weight of 301.73 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloro-5-formyl-2-pyridinyl)amino]methyl]-4-methoxybenzonitrile is sourced from PubChem (CID 142549585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).