3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide

C25H29N5O2 — CID 68939373

IUPAC3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(Oc2ccnc(Nc3cccc(C(=O)NC4CCN(C)CC4)c3)c2)c(C)n1
InChIInChI=1S/C25H29N5O2/c1-17-7-8-23(18(2)27-17)32-22-9-12-26-24(16-22)28-21-6-4-5-19(15-21)25(31)29-20-10-13-30(3)14-11-20/h4-9,12,15-16,20H,10-11,13-14H2,1-3H3,(H,26,28)(H,29,31)
InChIKeyUXPMEAXMXLZYAJ-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.45
Rot. Bonds6

About 3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide

3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 68939373) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID68939373
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(Oc2ccnc(Nc3cccc(C(=O)NC4CCN(C)CC4)c3)c2)c(C)n1
InChIInChI=1S/C25H29N5O2/c1-17-7-8-23(18(2)27-17)32-22-9-12-26-24(16-22)28-21-6-4-5-19(15-21)25(31)29-20-10-13-30(3)14-11-20/h4-9,12,15-16,20H,10-11,13-14H2,1-3H3,(H,26,28)(H,29,31)
InChIKeyUXPMEAXMXLZYAJ-UHFFFAOYSA-N
XLogP4.45
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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Related Compounds

4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-phenylpyridin-2-amine
CID 87630526
N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine
CID 68849847
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]amino]-N-cyclopropylbenzamide
CID 141440778
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine
CID 68945631
3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one
CID 68944007
4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(dimethylsulfamoylamino)ethyl]benzamide
CID 68946406
2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide
CID 109166315
N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109165227
3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 70244596
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
3-formyl-N-(1-methylpiperidin-4-yl)benzamide
CID 90104631
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide (CID 68939373) is 3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide is Cc1ccc(Oc2ccnc(Nc3cccc(C(=O)NC4CCN(C)CC4)c3)c2)c(C)n1.
What is the InChIKey of 3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is UXPMEAXMXLZYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-7-8-23(18(2)27-17)32-22-9-12-26-24(16-22)28-21-6-4-5-19(15-21)25(31)29-20-10-13-30(3)14-11-20/h4-9,12,15-16,20H,10-11,13-14H2,1-3H3,(H,26,28)(H,29,31).
What are the key properties of 3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide?
3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 68939373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).