N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide

C23H29N3O3 — CID 42868008

IUPACN-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-17-8-9-20(23(28)24-12-15-29-2)22(25-17)19-10-13-26(14-11-19)21(27)16-18-6-4-3-5-7-18/h3-9,19H,10-16H2,1-2H3,(H,24,28)
InChIKeyDGUVICMXDCHWIM-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.71
Rot. Bonds7

About N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide

N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 42868008) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID42868008
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-17-8-9-20(23(28)24-12-15-29-2)22(25-17)19-10-13-26(14-11-19)21(27)16-18-6-4-3-5-7-18/h3-9,19H,10-16H2,1-2H3,(H,24,28)
InChIKeyDGUVICMXDCHWIM-UHFFFAOYSA-N
XLogP2.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46069019
6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3761621
2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42852218
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3762431
2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069124
2-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3436160
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3789960
6-methyl-N-(3-methylbutyl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42852034
6-methyl-2-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3852421

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide (CID 42868008) is N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide is COCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is DGUVICMXDCHWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-8-9-20(23(28)24-12-15-29-2)22(25-17)19-10-13-26(14-11-19)21(27)16-18-6-4-3-5-7-18/h3-9,19H,10-16H2,1-2H3,(H,24,28).
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42868008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).