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

C26H25N5O2 — CID 44521025

IUPAC4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
SMILESCc1cc(Oc2ccnc(Nc3ccc(C(=O)N(C)C)cc3)c2)c(-c2ccccn2)nc1C
InChIInChI=1S/C26H25N5O2/c1-17-15-23(25(29-18(17)2)22-7-5-6-13-27-22)33-21-12-14-28-24(16-21)30-20-10-8-19(9-11-20)26(32)31(3)4/h5-16H,1-4H3,(H,28,30)
InChIKeyDPCGOVJDWMYWEI-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.39
Rot. Bonds6

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

4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide (PubChem CID 44521025) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
PubChem CID44521025
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
SMILESCc1cc(Oc2ccnc(Nc3ccc(C(=O)N(C)C)cc3)c2)c(-c2ccccn2)nc1C
InChIInChI=1S/C26H25N5O2/c1-17-15-23(25(29-18(17)2)22-7-5-6-13-27-22)33-21-12-14-28-24(16-21)30-20-10-8-19(9-11-20)26(32)31(3)4/h5-16H,1-4H3,(H,28,30)
InChIKeyDPCGOVJDWMYWEI-UHFFFAOYSA-N
XLogP5.39
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide (CID 44521025) is 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide is Cc1cc(Oc2ccnc(Nc3ccc(C(=O)N(C)C)cc3)c2)c(-c2ccccn2)nc1C.
What is the InChIKey of 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide?
The InChIKey is DPCGOVJDWMYWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-15-23(25(29-18(17)2)22-7-5-6-13-27-22)33-21-12-14-28-24(16-21)30-20-10-8-19(9-11-20)26(32)31(3)4/h5-16H,1-4H3,(H,28,30).
What are the key properties of 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide?
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide has a molecular weight of 439.52 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 44521025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).