2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile

C16H18N4O — CID 107802693

IUPAC2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile
SMILESCCCOc1nc(Nc2cccc(C)c2C#N)ccc1N
InChIInChI=1S/C16H18N4O/c1-3-9-21-16-13(18)7-8-15(20-16)19-14-6-4-5-11(2)12(14)10-17/h4-8H,3,9,18H2,1-2H3,(H,19,20)
InChIKeyOPOMZUWWZNWWAA-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.38
Rot. Bonds5

About 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile

2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile (PubChem CID 107802693) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile
PubChem CID107802693
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile
SMILESCCCOc1nc(Nc2cccc(C)c2C#N)ccc1N
InChIInChI=1S/C16H18N4O/c1-3-9-21-16-13(18)7-8-15(20-16)19-14-6-4-5-11(2)12(14)10-17/h4-8H,3,9,18H2,1-2H3,(H,19,20)
InChIKeyOPOMZUWWZNWWAA-UHFFFAOYSA-N
XLogP3.38
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile 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

6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807065
2-N-[2-(dimethylamino)phenyl]-6-propoxypyridine-2,5-diamine
CID 106759477
2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine
CID 43805886
2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile
CID 62301180
6-(cyclopropylmethoxy)-2-N-(2,3-dimethylphenyl)pyridine-2,5-diamine
CID 43261678
2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
CID 63402975
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107800146
3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
CID 103467468
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
CID 107805463
6-propoxy-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351232

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile?
The IUPAC name of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile (CID 107802693) is 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile is CCCOc1nc(Nc2cccc(C)c2C#N)ccc1N.
What is the InChIKey of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile?
The InChIKey is OPOMZUWWZNWWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-9-21-16-13(18)7-8-15(20-16)19-14-6-4-5-11(2)12(14)10-17/h4-8H,3,9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile?
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile has a molecular weight of 282.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile is sourced from PubChem (CID 107802693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).