N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

C16H21N3O2 — CID 72921925

IUPACN-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)N2CC=C(C)CC2)cc1
InChIInChI=1S/C16H21N3O2/c1-3-17-15(20)13-4-6-14(7-5-13)18-16(21)19-10-8-12(2)9-11-19/h4-8H,3,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyYZCUTUFLVTUKCT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds3

About N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 72921925) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID72921925
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)N2CC=C(C)CC2)cc1
InChIInChI=1S/C16H21N3O2/c1-3-17-15(20)13-4-6-14(7-5-13)18-16(21)19-10-8-12(2)9-11-19/h4-8H,3,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyYZCUTUFLVTUKCT-UHFFFAOYSA-N
XLogP2.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115766537
1-N-ethyl-4-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
CID 53016583
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55818888
4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72858123
N-(4-acetylphenyl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114412428
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
CID 54818586
4-benzamido-N-ethylbenzamide
CID 17153265
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
CID 114412000
N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 125174868

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 72921925) is N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CCNC(=O)c1ccc(NC(=O)N2CC=C(C)CC2)cc1.
What is the InChIKey of N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is YZCUTUFLVTUKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-17-15(20)13-4-6-14(7-5-13)18-16(21)19-10-8-12(2)9-11-19/h4-8H,3,9-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 72921925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).