2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide

C21H28N4O2 — CID 133319504

IUPAC2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCC(c1ccccc1OC)N1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-22-21(26)17-10-8-12-23-20(17)24-15-18(25-13-6-3-7-14-25)16-9-4-5-11-19(16)27-2/h4-5,8-12,18H,3,6-7,13-15H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyLZQKLZAYSSLBOE-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.09
Rot. Bonds7

About 2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide

2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 133319504) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide
PubChem CID133319504
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCC(c1ccccc1OC)N1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-22-21(26)17-10-8-12-23-20(17)24-15-18(25-13-6-3-7-14-25)16-9-4-5-11-19(16)27-2/h4-5,8-12,18H,3,6-7,13-15H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyLZQKLZAYSSLBOE-UHFFFAOYSA-N
XLogP3.09
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 55950744
2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
CID 119946536
N-methyl-2-[2-(3-methylpiperidin-1-yl)propylamino]pyridine-3-carboxamide
CID 133328259
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-N-methylpyridine-3-carboxamide
CID 133322148
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319501
2-(4-ethoxyphenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112504054
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]amino]-N-methylpyridine-3-carboxamide
CID 133316958

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide (CID 133319504) is 2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1NCC(c1ccccc1OC)N1CCCCC1.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is LZQKLZAYSSLBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-22-21(26)17-10-8-12-23-20(17)24-15-18(25-13-6-3-7-14-25)16-9-4-5-11-19(16)27-2/h4-5,8-12,18H,3,6-7,13-15H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide?
2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133319504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).