methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate

C21H26ClN3O3 — CID 24855171

IUPACmethyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate
SMILESCCOc1cc(CN2CCC(Nc3ccc(C(=O)OC)cn3)CC2)ccc1Cl
InChIInChI=1S/C21H26ClN3O3/c1-3-28-19-12-15(4-6-18(19)22)14-25-10-8-17(9-11-25)24-20-7-5-16(13-23-20)21(26)27-2/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,23,24)
InChIKeyRNBDSYOPKFNGOH-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.00
Rot. Bonds7

About methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate

methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 24855171) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate
PubChem CID24855171
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Namemethyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate
SMILESCCOc1cc(CN2CCC(Nc3ccc(C(=O)OC)cn3)CC2)ccc1Cl
InChIInChI=1S/C21H26ClN3O3/c1-3-28-19-12-15(4-6-18(19)22)14-25-10-8-17(9-11-25)24-20-7-5-16(13-23-20)21(26)27-2/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,23,24)
InChIKeyRNBDSYOPKFNGOH-UHFFFAOYSA-N
XLogP4.00
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

[2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol
CID 24855125
6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 24855392
5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 24855078
2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine
CID 86618536
methyl 5-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67401247
methyl 5-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67402144
methyl 5-[[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67400938
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol
CID 67401138
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
4-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]benzonitrile
CID 24854967
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 24855588

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate (CID 24855171) is methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate is CCOc1cc(CN2CCC(Nc3ccc(C(=O)OC)cn3)CC2)ccc1Cl.
What is the InChIKey of methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate?
The InChIKey is RNBDSYOPKFNGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-3-28-19-12-15(4-6-18(19)22)14-25-10-8-17(9-11-25)24-20-7-5-16(13-23-20)21(26)27-2/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,23,24).
What are the key properties of methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate?
methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 403.91 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 24855171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).