methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate

C22H27N3O3 — CID 78875789

IUPACmethyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2C)nc1
InChIInChI=1S/C22H27N3O3/c1-16-7-5-6-12-25(16)15-19-9-4-3-8-17(19)13-24-21(26)20-11-10-18(14-23-20)22(27)28-2/h3-4,8-11,14,16H,5-7,12-13,15H2,1-2H3,(H,24,26)
InChIKeyWDWXDBUKVMUFOP-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.17
Rot. Bonds6

About methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate

methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate (PubChem CID 78875789) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate
PubChem CID78875789
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Namemethyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2C)nc1
InChIInChI=1S/C22H27N3O3/c1-16-7-5-6-12-25(16)15-19-9-4-3-8-17(19)13-24-21(26)20-11-10-18(14-23-20)22(27)28-2/h3-4,8-11,14,16H,5-7,12-13,15H2,1-2H3,(H,24,26)
InChIKeyWDWXDBUKVMUFOP-UHFFFAOYSA-N
XLogP3.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 55718070
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78875791
1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 126771493
4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 46478370
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 51983604
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658
4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 52514656
1-(2,2-dimethylpropanoyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46470618
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
methyl 4-[(2-methylpyrrolidin-1-yl)methyl]benzoate
CID 54882617

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate (CID 78875789) is methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2C)nc1.
What is the InChIKey of methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate?
The InChIKey is WDWXDBUKVMUFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-7-5-6-12-25(16)15-19-9-4-3-8-17(19)13-24-21(26)20-11-10-18(14-23-20)22(27)28-2/h3-4,8-11,14,16H,5-7,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate?
methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 78875789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).