2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C23H19N5O2 — CID 59373926

IUPAC2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C23H19N5O2/c29-22(27-16-17-5-3-12-24-15-17)20-6-4-14-26-23(20)30-19-10-8-18(9-11-19)28-21-7-1-2-13-25-21/h1-15H,16H2,(H,25,28)(H,27,29)
InChIKeyQNZPEMCGYNZIOL-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.34
Rot. Bonds7

About 2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 59373926) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID59373926
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C23H19N5O2/c29-22(27-16-17-5-3-12-24-15-17)20-6-4-14-26-23(20)30-19-10-8-18(9-11-19)28-21-7-1-2-13-25-21/h1-15H,16H2,(H,25,28)(H,27,29)
InChIKeyQNZPEMCGYNZIOL-UHFFFAOYSA-N
XLogP4.34
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 59373926) is 2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of 2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QNZPEMCGYNZIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c29-22(27-16-17-5-3-12-24-15-17)20-6-4-14-26-23(20)30-19-10-8-18(9-11-19)28-21-7-1-2-13-25-21/h1-15H,16H2,(H,25,28)(H,27,29).
What are the key properties of 2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylamino)phenoxy]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59373926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).