methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate

C24H26N4O3 — CID 59374325

IUPACmethyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)CC1
InChIInChI=1S/C24H26N4O3/c1-17-5-10-22(26-16-17)27-19-6-8-20(9-7-19)31-23-21(4-3-13-25-23)18-11-14-28(15-12-18)24(29)30-2/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,26,27)
InChIKeyWFKITMQRYQVEDS-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.27
Rot. Bonds5

About methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate

methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate (PubChem CID 59374325) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate
PubChem CID59374325
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Namemethyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)CC1
InChIInChI=1S/C24H26N4O3/c1-17-5-10-22(26-16-17)27-19-6-8-20(9-7-19)31-23-21(4-3-13-25-23)18-11-14-28(15-12-18)24(29)30-2/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,26,27)
InChIKeyWFKITMQRYQVEDS-UHFFFAOYSA-N
XLogP5.27
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate with MolForge

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Related Compounds

4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
methyl N-[4-[6-[(2S)-2-amino-2,4-dimethylpentoxy]-5-methyl-3-pyridinyl]-2-pyridinyl]carbamate
CID 118429886
N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3237037
2-(Morpholin-4-Yl)-N-[4-(Pyridin-4-Yloxy)phenyl]pyridine-4-Carboxamide
CID 70679357
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
1-(4-Ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
CID 2811862
N-[4-(benzyloxy)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide
CID 3236785
N-(2-methoxyphenyl)-4-(2-(2-methoxyphenylamino)pyridin-4-yl)pyridin-2-amine
CID 10475988
N-(2-ethoxyphenyl)-4-(2-(2-ethoxyphenylamino)pyridin-4-yl)pyridin-2-amine
CID 10477561
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate (CID 59374325) is methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate is COC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3ccc(C)cn3)cc2)CC1.
What is the InChIKey of methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate?
The InChIKey is WFKITMQRYQVEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-5-10-22(26-16-17)27-19-6-8-20(9-7-19)31-23-21(4-3-13-25-23)18-11-14-28(15-12-18)24(29)30-2/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,26,27).
What are the key properties of methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate?
methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate has a molecular weight of 418.50 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 59374325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).