4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile

C15H15ClN4O — CID 107807065

IUPAC4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
SMILESCCCOc1nc(Nc2ccc(C#N)cc2Cl)ccc1N
InChIInChI=1S/C15H15ClN4O/c1-2-7-21-15-12(18)4-6-14(20-15)19-13-5-3-10(9-17)8-11(13)16/h3-6,8H,2,7,18H2,1H3,(H,19,20)
InChIKeyOGEIIMDKDHVJBX-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.72
Rot. Bonds5

About 4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile

4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile (PubChem CID 107807065) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
PubChem CID107807065
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
SMILESCCCOc1nc(Nc2ccc(C#N)cc2Cl)ccc1N
InChIInChI=1S/C15H15ClN4O/c1-2-7-21-15-12(18)4-6-14(20-15)19-13-5-3-10(9-17)8-11(13)16/h3-6,8H,2,7,18H2,1H3,(H,19,20)
InChIKeyOGEIIMDKDHVJBX-UHFFFAOYSA-N
XLogP3.72
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003341
4-[(5-amino-6-ethoxy-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787248
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802693
2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
CID 63402975
4-[(4-amino-5-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807041
3-chloro-4-[(2-chloropyrimidin-4-yl)amino]benzonitrile
CID 107809620
2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
CID 83072874
6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
2-[4-[(5-amino-6-propoxy-2-pyridinyl)amino]phenyl]acetonitrile
CID 62301180
2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine
CID 43805886
4-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-3-chlorobenzonitrile
CID 107806981
2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261762

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile?
The IUPAC name of 4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile (CID 107807065) is 4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile.
What is the SMILES notation for 4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile?
The canonical SMILES for 4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile is CCCOc1nc(Nc2ccc(C#N)cc2Cl)ccc1N.
What is the InChIKey of 4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile?
The InChIKey is OGEIIMDKDHVJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-2-7-21-15-12(18)4-6-14(20-15)19-13-5-3-10(9-17)8-11(13)16/h3-6,8H,2,7,18H2,1H3,(H,19,20).
What are the key properties of 4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile?
4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile has a molecular weight of 302.77 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile is sourced from PubChem (CID 107807065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).