2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide

C15H16N4O — CID 114770305

IUPAC2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(N2Cc3ccc(N)cc3C2)n1
InChIInChI=1S/C15H16N4O/c1-9-4-11(15(17)20)6-14(18-9)19-7-10-2-3-13(16)5-12(10)8-19/h2-6H,7-8,16H2,1H3,(H2,17,20)
InChIKeyYJVJJEXYGWJBOW-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.59
Rot. Bonds2

About 2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide

2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide (PubChem CID 114770305) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide
PubChem CID114770305
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(N)=O)cc(N2Cc3ccc(N)cc3C2)n1
InChIInChI=1S/C15H16N4O/c1-9-4-11(15(17)20)6-14(18-9)19-7-10-2-3-13(16)5-12(10)8-19/h2-6H,7-8,16H2,1H3,(H2,17,20)
InChIKeyYJVJJEXYGWJBOW-UHFFFAOYSA-N
XLogP1.59
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide (CID 114770305) is 2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide is Cc1cc(C(N)=O)cc(N2Cc3ccc(N)cc3C2)n1.
What is the InChIKey of 2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide?
The InChIKey is YJVJJEXYGWJBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-4-11(15(17)20)6-14(18-9)19-7-10-2-3-13(16)5-12(10)8-19/h2-6H,7-8,16H2,1H3,(H2,17,20).
What are the key properties of 2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide?
2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3-dihydroisoindol-2-yl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 114770305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).