methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate

C22H27N3O5 — CID 123962834

IUPACmethyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)ccnc1NC1CCC(C)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C22H27N3O5/c1-15-9-10-17(13-25(15)22(27)30-14-16-7-5-4-6-8-16)24-20-19(21(26)29-3)18(28-2)11-12-23-20/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,23,24)
InChIKeyYZXMADUEYBNAMZ-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.48
Rot. Bonds6

About methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate

methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate (PubChem CID 123962834) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate
PubChem CID123962834
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Namemethyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)ccnc1NC1CCC(C)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C22H27N3O5/c1-15-9-10-17(13-25(15)22(27)30-14-16-7-5-4-6-8-16)24-20-19(21(26)29-3)18(28-2)11-12-23-20/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,23,24)
InChIKeyYZXMADUEYBNAMZ-UHFFFAOYSA-N
XLogP3.48
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate with MolForge

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Related Compounds

benzyl (2S,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 118115737
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421
benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
CID 130369185
benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 86724500
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
benzyl (2R,5R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 11521972
benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 154193684
benzyl (2S,5R)-5-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-methylpiperidine-1-carboxylate;2-chloro-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 161239489
benzyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 166141672
benzyl 2-(4-aminopent-1-en-2-ylamino)-4-methoxypyridine-3-carboxylate
CID 177031510
benzyl (7R)-4-(4-methoxy-2-pyridinyl)-7-methyl-1,4-diazepane-1-carboxylate
CID 121371685
benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate
CID 90196793

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate (CID 123962834) is methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate is COC(=O)c1c(OC)ccnc1NC1CCC(C)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate?
The InChIKey is YZXMADUEYBNAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-15-9-10-17(13-25(15)22(27)30-14-16-7-5-4-6-8-16)24-20-19(21(26)29-3)18(28-2)11-12-23-20/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,23,24).
What are the key properties of methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate?
methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate has a molecular weight of 413.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-[(6-methyl-1-phenylmethoxycarbonylpiperidin-3-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 123962834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).