6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide

C16H19N3O2 — CID 174444884

IUPAC6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
SMILESCC(CN)Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(9-17)8-12-2-5-14(6-3-12)21-15-7-4-13(10-19-15)16(18)20/h2-7,10-11H,8-9,17H2,1H3,(H2,18,20)
InChIKeyXXJVIYHDLSHMNB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.11
Rot. Bonds6

About 6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide

6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide (PubChem CID 174444884) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
PubChem CID174444884
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
SMILESCC(CN)Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(9-17)8-12-2-5-14(6-3-12)21-15-7-4-13(10-19-15)16(18)20/h2-7,10-11H,8-9,17H2,1H3,(H2,18,20)
InChIKeyXXJVIYHDLSHMNB-UHFFFAOYSA-N
XLogP2.11
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide (CID 174444884) is 6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide is CC(CN)Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is XXJVIYHDLSHMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(9-17)8-12-2-5-14(6-3-12)21-15-7-4-13(10-19-15)16(18)20/h2-7,10-11H,8-9,17H2,1H3,(H2,18,20).
What are the key properties of 6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide?
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 174444884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).