N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide

C18H21N3O3 — CID 134998800

IUPACN-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide
SMILESCON(C)C(=O)C(CCc1ccccc1)NC(=O)c1ccccn1
InChIInChI=1S/C18H21N3O3/c1-21(24-2)18(23)16(12-11-14-8-4-3-5-9-14)20-17(22)15-10-6-7-13-19-15/h3-10,13,16H,11-12H2,1-2H3,(H,20,22)
InChIKeyHZNMTURRPRTADB-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.83
Rot. Bonds7

About N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide

N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide (PubChem CID 134998800) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide
PubChem CID134998800
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide
SMILESCON(C)C(=O)C(CCc1ccccc1)NC(=O)c1ccccn1
InChIInChI=1S/C18H21N3O3/c1-21(24-2)18(23)16(12-11-14-8-4-3-5-9-14)20-17(22)15-10-6-7-13-19-15/h3-10,13,16H,11-12H2,1-2H3,(H,20,22)
InChIKeyHZNMTURRPRTADB-UHFFFAOYSA-N
XLogP1.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-cyclohexyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 134996985
N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 134998602
5-methoxy-5-oxo-2-(pyridine-2-carbonylamino)pentanoic acid
CID 82786131
N-[1-[2,6-bis(2-phenylethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711534
N-[3-methoxy-1-oxo-1-[[(1R)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]amino]propan-2-yl]pyridine-2-carboxamide
CID 174060567
ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 114916710
N-[(2S)-3-hydroxy-1-[4-[[(2S)-3-hydroxy-2-(pyridine-2-carbonylamino)propanoyl]amino]butylamino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 18666428
N-[(2S)-1-[cyano(methyl)amino]-1-oxo-4-phenylbutan-2-yl]benzamide
CID 87849968
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771

Frequently Asked Questions

What is the IUPAC name of N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide (CID 134998800) is N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide is CON(C)C(=O)C(CCc1ccccc1)NC(=O)c1ccccn1.
What is the InChIKey of N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide?
The InChIKey is HZNMTURRPRTADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(24-2)18(23)16(12-11-14-8-4-3-5-9-14)20-17(22)15-10-6-7-13-19-15/h3-10,13,16H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide?
N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134998800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).