3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile

C15H16N4O — CID 82816909

IUPAC3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile
SMILESCCCOc1ccc(Nc2nccc(C#N)c2N)cc1
InChIInChI=1S/C15H16N4O/c1-2-9-20-13-5-3-12(4-6-13)19-15-14(17)11(10-16)7-8-18-15/h3-8H,2,9,17H2,1H3,(H,18,19)
InChIKeyHFBQLTUUSHXAIG-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.07
Rot. Bonds5

About 3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile

3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile (PubChem CID 82816909) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile
PubChem CID82816909
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile
SMILESCCCOc1ccc(Nc2nccc(C#N)c2N)cc1
InChIInChI=1S/C15H16N4O/c1-2-9-20-13-5-3-12(4-6-13)19-15-14(17)11(10-16)7-8-18-15/h3-8H,2,9,17H2,1H3,(H,18,19)
InChIKeyHFBQLTUUSHXAIG-UHFFFAOYSA-N
XLogP3.07
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-[4-(cyanomethyl)anilino]pyridine-4-carbonitrile
CID 82817545
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
CID 114261881
3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
CID 82816731
3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile
CID 82817206
3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile
CID 82813369
3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 82817759
2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine
CID 80825854
4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
CID 106750723
4-N-(4-butoxyphenyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135400
2-(4-propoxyanilino)pyridine-3-carbothioamide
CID 62327992

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile (CID 82816909) is 3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile is CCCOc1ccc(Nc2nccc(C#N)c2N)cc1.
What is the InChIKey of 3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile?
The InChIKey is HFBQLTUUSHXAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-9-20-13-5-3-12(4-6-13)19-15-14(17)11(10-16)7-8-18-15/h3-8H,2,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile?
3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 82816909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).