5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide

C21H27ClN2O4 — CID 21109684

IUPAC5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCCCC(CO)CNC(=O)c1cnc(OCCOC)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H27ClN2O4/c1-3-4-15(14-25)12-23-20(26)17-11-19(16-5-7-18(22)8-6-16)21(24-13-17)28-10-9-27-2/h5-8,11,13,15,25H,3-4,9-10,12,14H2,1-2H3,(H,23,26)
InChIKeyHOWWWKWECYWBME-UHFFFAOYSA-N
MW406.91 g/mol
LogP3.57
Rot. Bonds11

About 5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide (PubChem CID 21109684) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide
PubChem CID21109684
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC Name5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide
SMILESCCCC(CO)CNC(=O)c1cnc(OCCOC)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H27ClN2O4/c1-3-4-15(14-25)12-23-20(26)17-11-19(16-5-7-18(22)8-6-16)21(24-13-17)28-10-9-27-2/h5-8,11,13,15,25H,3-4,9-10,12,14H2,1-2H3,(H,23,26)
InChIKeyHOWWWKWECYWBME-UHFFFAOYSA-N
XLogP3.57
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide
CID 11951838
methyl 5-(4-chlorophenyl)-6-methoxypyridine-3-carboxylate
CID 175171201
5-(4-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)butyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66686841
5-(4-fluorophenyl)-N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide
CID 11949888
6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile
CID 21109720
5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
CID 66687293
5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 56928594
5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 11951477
5-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722628
5-(3,4-difluorophenyl)-6-(2-methoxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929560
5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505139
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505140

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide (CID 21109684) is 5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide is CCCC(CO)CNC(=O)c1cnc(OCCOC)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide?
The InChIKey is HOWWWKWECYWBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4/c1-3-4-15(14-25)12-23-20(26)17-11-19(16-5-7-18(22)8-6-16)21(24-13-17)28-10-9-27-2/h5-8,11,13,15,25H,3-4,9-10,12,14H2,1-2H3,(H,23,26).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide has a molecular weight of 406.91 g/mol, XLogP of 3.57, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 21109684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).