N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide

C21H27N3O2 — CID 97269555

IUPACN-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(N2CCC[C@@H](COc3ccccc3C)C2)c1
InChIInChI=1S/C21H27N3O2/c1-3-22-21(25)18-10-11-23-20(13-18)24-12-6-8-17(14-24)15-26-19-9-5-4-7-16(19)2/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyYUBIXUKNQCNDMR-QGZVFWFLSA-N
MW353.47 g/mol
LogP3.44
Rot. Bonds6

About N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide

N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 97269555) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID97269555
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(N2CCC[C@@H](COc3ccccc3C)C2)c1
InChIInChI=1S/C21H27N3O2/c1-3-22-21(25)18-10-11-23-20(13-18)24-12-6-8-17(14-24)15-26-19-9-5-4-7-16(19)2/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyYUBIXUKNQCNDMR-QGZVFWFLSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
CID 97274690
2-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-N-methylpyridine-4-carboxamide
CID 159477761
6-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyrimidine-2,4-diamine
CID 72914782
2-[3-[(4-amino-2-oxo-1H-2λ4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide
CID 153402023
2-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-cyclopropylpyridine-4-carboxamide
CID 146366466
6-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 146366295
4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
CID 106585831
2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 126448160
2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 97191265
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 131907444
2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
2,2-dimethyl-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 110638458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide (CID 97269555) is N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide is CCNC(=O)c1ccnc(N2CCC[C@@H](COc3ccccc3C)C2)c1.
What is the InChIKey of N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is YUBIXUKNQCNDMR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-22-21(25)18-10-11-23-20(13-18)24-12-6-8-17(14-24)15-26-19-9-5-4-7-16(19)2/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide?
N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97269555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).