6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide

C24H20N4O2 — CID 144717341

IUPAC6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide
SMILESNCc1ccc(Oc2ccc(-c3cccc(C(N)=O)n3)cc2)c(-c2cccnc2)c1
InChIInChI=1S/C24H20N4O2/c25-14-16-6-11-23(20(13-16)18-3-2-12-27-15-18)30-19-9-7-17(8-10-19)21-4-1-5-22(28-21)24(26)29/h1-13,15H,14,25H2,(H2,26,29)
InChIKeyUXSHMORBRGQDKX-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.16
Rot. Bonds6

About 6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide

6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 144717341) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide
PubChem CID144717341
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide
SMILESNCc1ccc(Oc2ccc(-c3cccc(C(N)=O)n3)cc2)c(-c2cccnc2)c1
InChIInChI=1S/C24H20N4O2/c25-14-16-6-11-23(20(13-16)18-3-2-12-27-15-18)30-19-9-7-17(8-10-19)21-4-1-5-22(28-21)24(26)29/h1-13,15H,14,25H2,(H2,26,29)
InChIKeyUXSHMORBRGQDKX-UHFFFAOYSA-N
XLogP4.16
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide (CID 144717341) is 6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide is NCc1ccc(Oc2ccc(-c3cccc(C(N)=O)n3)cc2)c(-c2cccnc2)c1.
What is the InChIKey of 6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is UXSHMORBRGQDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c25-14-16-6-11-23(20(13-16)18-3-2-12-27-15-18)30-19-9-7-17(8-10-19)21-4-1-5-22(28-21)24(26)29/h1-13,15H,14,25H2,(H2,26,29).
What are the key properties of 6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 144717341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).