N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide

C18H22N2O3 — CID 143564051

IUPACN-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-3-4-10-19-17(21)15-11-13(2)20-18(22)16(15)23-12-14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWFJZXIZZPOUEKY-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.79
Rot. Bonds7

About N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide

N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide (PubChem CID 143564051) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide
PubChem CID143564051
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-3-4-10-19-17(21)15-11-13(2)20-18(22)16(15)23-12-14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWFJZXIZZPOUEKY-UHFFFAOYSA-N
XLogP2.79
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-[bis[2-[(6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]hexanoic acid
CID 69382475
methyl 5-(butylcarbamoyl)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxyquinoline-7-carboxylate
CID 59696325
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
2-(benzylamino)-N-butylbenzamide
CID 86102037
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
CID 3289624
N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 17256689
N-butyl-2-phenylmethoxyacetamide
CID 126717674
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
CID 18941618
N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide
CID 67673667

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide?
The IUPAC name of N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide (CID 143564051) is N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide?
The canonical SMILES for N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide is CCCCNC(=O)c1cc(C)[nH]c(=O)c1OCc1ccccc1.
What is the InChIKey of N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide?
The InChIKey is WFJZXIZZPOUEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-4-10-19-17(21)15-11-13(2)20-18(22)16(15)23-12-14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide?
N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide is sourced from PubChem (CID 143564051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).