N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide

C20H25N3O2 — CID 109182753

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cn2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-18-8-5-16(6-9-18)11-12-21-20(24)19-10-7-17(15-22-19)23-13-3-2-4-14-23/h5-10,15H,2-4,11-14H2,1H3,(H,21,24)
InChIKeyYHIJSGXTMOPPTM-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.05
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 109182753) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
PubChem CID109182753
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cn2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-18-8-5-16(6-9-18)11-12-21-20(24)19-10-7-17(15-22-19)23-13-3-2-4-14-23/h5-10,15H,2-4,11-14H2,1H3,(H,21,24)
InChIKeyYHIJSGXTMOPPTM-UHFFFAOYSA-N
XLogP3.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109187084
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
5-(azepan-1-yl)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195506
5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183656
N-[3-(dimethylamino)propyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182724
5-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109186778
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190371
ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109191756
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192060
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide (CID 109182753) is N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is YHIJSGXTMOPPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-18-8-5-16(6-9-18)11-12-21-20(24)19-10-7-17(15-22-19)23-13-3-2-4-14-23/h5-10,15H,2-4,11-14H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109182753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).