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

C24H21N5O2 — CID 59374130

IUPAC2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccnc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H21N5O2/c30-23(27-16-12-18-5-3-13-25-17-18)21-6-4-15-28-24(21)31-20-10-8-19(9-11-20)29-22-7-1-2-14-26-22/h1-11,13-15,17H,12,16H2,(H,26,29)(H,27,30)
InChIKeyFIPINBGGHGHVNP-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.38
Rot. Bonds8

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

2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide (PubChem CID 59374130) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
PubChem CID59374130
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccnc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H21N5O2/c30-23(27-16-12-18-5-3-13-25-17-18)21-6-4-15-28-24(21)31-20-10-8-19(9-11-20)29-22-7-1-2-14-26-22/h1-11,13-15,17H,12,16H2,(H,26,29)(H,27,30)
InChIKeyFIPINBGGHGHVNP-UHFFFAOYSA-N
XLogP4.38
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.38
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-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide (CID 59374130) is 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide is O=C(NCCc1cccnc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?
The InChIKey is FIPINBGGHGHVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-23(27-16-12-18-5-3-13-25-17-18)21-6-4-15-28-24(21)31-20-10-8-19(9-11-20)29-22-7-1-2-14-26-22/h1-11,13-15,17H,12,16H2,(H,26,29)(H,27,30).
What are the key properties of 2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?
2-[4-(pyridin-2-ylamino)phenoxy]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 4.38, 8 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-(2-pyridin-3-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59374130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).