N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

C21H27N3O2 — CID 109227214

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cncc(N3CCC(C)CC3)c2)c1
InChIInChI=1S/C21H27N3O2/c1-16-7-10-24(11-8-16)19-13-18(14-22-15-19)21(25)23-9-6-17-4-3-5-20(12-17)26-2/h3-5,12-16H,6-11H2,1-2H3,(H,23,25)
InChIKeyQLAORZSCPCXGQR-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 109227214) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID109227214
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cncc(N3CCC(C)CC3)c2)c1
InChIInChI=1S/C21H27N3O2/c1-16-7-10-24(11-8-16)19-13-18(14-22-15-19)21(25)23-9-6-17-4-3-5-20(12-17)26-2/h3-5,12-16H,6-11H2,1-2H3,(H,23,25)
InChIKeyQLAORZSCPCXGQR-UHFFFAOYSA-N
XLogP3.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230262
N-(3-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227296
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081831
5-N-tert-butyl-3-N-[2-(3-methoxyphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106409
N-[2-(4-methoxyphenyl)ethyl]-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103183
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081685
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779
N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109236721
N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109236720
N-[2-(3-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235637

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 109227214) is N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is COc1cccc(CCNC(=O)c2cncc(N3CCC(C)CC3)c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is QLAORZSCPCXGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-7-10-24(11-8-16)19-13-18(14-22-15-19)21(25)23-9-6-17-4-3-5-20(12-17)26-2/h3-5,12-16H,6-11H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109227214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).