N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C16H20N2O3 — CID 114412428

IUPACN-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCC1=CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H20N2O3/c1-12(19)14-3-5-15(6-4-14)17-16(20)18-9-7-13(8-10-18)11-21-2/h3-7H,8-11H2,1-2H3,(H,17,20)
InChIKeyTYVQIJRQINXLDO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.70
Rot. Bonds4

About N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 114412428) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID114412428
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCC1=CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H20N2O3/c1-12(19)14-3-5-15(6-4-14)17-16(20)18-9-7-13(8-10-18)11-21-2/h3-7H,8-11H2,1-2H3,(H,17,20)
InChIKeyTYVQIJRQINXLDO-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115766537
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798
N-tert-butyl-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401800
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-(3-chloropropanoyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412228
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 99841536
N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72921925
1H-indol-6-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114390176
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-4-methylpentanoic acid
CID 114412200
2-bromo-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 107905856
2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409811

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 114412428) is N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is COCC1=CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is TYVQIJRQINXLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(19)14-3-5-15(6-4-14)17-16(20)18-9-7-13(8-10-18)11-21-2/h3-7H,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 114412428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).