N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide

C26H25N5O2 — CID 90892946

IUPACN-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C26H25N5O2/c1-4-25(32)31-20-10-8-19(9-11-20)30-24-16-21(12-14-28-24)33-23-15-17(2)18(3)29-26(23)22-7-5-6-13-27-22/h5-16H,4H2,1-3H3,(H,28,30)(H,31,32)
InChIKeyRYNQAERFDBPNMT-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.04
Rot. Bonds7

About N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide

N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide (PubChem CID 90892946) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide
PubChem CID90892946
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C26H25N5O2/c1-4-25(32)31-20-10-8-19(9-11-20)30-24-16-21(12-14-28-24)33-23-15-17(2)18(3)29-26(23)22-7-5-6-13-27-22/h5-16H,4H2,1-3H3,(H,28,30)(H,31,32)
InChIKeyRYNQAERFDBPNMT-UHFFFAOYSA-N
XLogP6.04
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide (CID 90892946) is N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc1.
What is the InChIKey of N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide?
The InChIKey is RYNQAERFDBPNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-4-25(32)31-20-10-8-19(9-11-20)30-24-16-21(12-14-28-24)33-23-15-17(2)18(3)29-26(23)22-7-5-6-13-27-22/h5-16H,4H2,1-3H3,(H,28,30)(H,31,32).
What are the key properties of N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide?
N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide has a molecular weight of 439.52 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]propanamide is sourced from PubChem (CID 90892946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).