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

C26H24N4O3 — CID 59374272

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1
InChIInChI=1S/C26H24N4O3/c1-32-21-11-7-19(8-12-21)15-18-28-25(31)23-5-4-17-29-26(23)33-22-13-9-20(10-14-22)30-24-6-2-3-16-27-24/h2-14,16-17H,15,18H2,1H3,(H,27,30)(H,28,31)
InChIKeyHWQRETSQHMQIBT-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.99
Rot. Bonds9

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

N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374272) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374272
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1
InChIInChI=1S/C26H24N4O3/c1-32-21-11-7-19(8-12-21)15-18-28-25(31)23-5-4-17-29-26(23)33-22-13-9-20(10-14-22)30-24-6-2-3-16-27-24/h2-14,16-17H,15,18H2,1H3,(H,27,30)(H,28,31)
InChIKeyHWQRETSQHMQIBT-UHFFFAOYSA-N
XLogP4.99
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374272) is N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is HWQRETSQHMQIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-32-21-11-7-19(8-12-21)15-18-28-25(31)23-5-4-17-29-26(23)33-22-13-9-20(10-14-22)30-24-6-2-3-16-27-24/h2-14,16-17H,15,18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).