2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile

C17H20N4O — CID 135584956

IUPAC2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCCCCC(N)c1cc(-c2ccccc2O)nc(N)c1C#N
InChIInChI=1S/C17H20N4O/c1-2-3-7-14(19)12-9-15(21-17(20)13(12)10-18)11-6-4-5-8-16(11)22/h4-6,8-9,14,22H,2-3,7,19H2,1H3,(H2,20,21)
InChIKeyNTAHTPBAKPQOHK-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.10
Rot. Bonds5

About 2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile

2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile (PubChem CID 135584956) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
PubChem CID135584956
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCCCCC(N)c1cc(-c2ccccc2O)nc(N)c1C#N
InChIInChI=1S/C17H20N4O/c1-2-3-7-14(19)12-9-15(21-17(20)13(12)10-18)11-6-4-5-8-16(11)22/h4-6,8-9,14,22H,2-3,7,19H2,1H3,(H2,20,21)
InChIKeyNTAHTPBAKPQOHK-UHFFFAOYSA-N
XLogP3.10
TPSA108.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile (CID 135584956) is 2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile is CCCCC(N)c1cc(-c2ccccc2O)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
The InChIKey is NTAHTPBAKPQOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-3-7-14(19)12-9-15(21-17(20)13(12)10-18)11-6-4-5-8-16(11)22/h4-6,8-9,14,22H,2-3,7,19H2,1H3,(H2,20,21).
What are the key properties of 2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-aminopentyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 135584956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).