1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone

C24H26N4O2 — CID 68605889

IUPAC1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2cccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)C1
InChIInChI=1S/C24H26N4O2/c1-17-7-12-23(26-15-17)27-20-8-10-21(11-9-20)30-24-22(6-3-13-25-24)19-5-4-14-28(16-19)18(2)29/h3,6-13,15,19H,4-5,14,16H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyKTPXENPNDMLGRM-IBGZPJMESA-N
MW402.50 g/mol
LogP5.05
Rot. Bonds5

About 1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone

1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 68605889) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID68605889
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2cccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)C1
InChIInChI=1S/C24H26N4O2/c1-17-7-12-23(26-15-17)27-20-8-10-21(11-9-20)30-24-22(6-3-13-25-24)19-5-4-14-28(16-19)18(2)29/h3,6-13,15,19H,4-5,14,16H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyKTPXENPNDMLGRM-IBGZPJMESA-N
XLogP5.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59373992
tert-butyl 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-1-carboxylate
CID 59374012
1-[3-[2-[4-(1,3-benzothiazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 89459508
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
1-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821922
1-[4-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110267424
1-[4-[(3S)-3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95837942
1-[3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256201
6-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]anilino]pyridine-3-carbonitrile
CID 59374126
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67425066
N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
CID 67426031

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone (CID 68605889) is 1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2cccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)C1.
What is the InChIKey of 1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is KTPXENPNDMLGRM-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-7-12-23(26-15-17)27-20-8-10-21(11-9-20)30-24-22(6-3-13-25-24)19-5-4-14-28(16-19)18(2)29/h3,6-13,15,19H,4-5,14,16H2,1-2H3,(H,26,27)/t19-/m0/s1.
What are the key properties of 1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 402.50 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 68605889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).