N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide

C26H30N2O4 — CID 167438203

IUPACN-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide
SMILESCCCCn1c(C)cc(=O)c(OCc2ccccc2)c1CNC(=O)c1cccc(OC)c1
InChIInChI=1S/C26H30N2O4/c1-4-5-14-28-19(2)15-24(29)25(32-18-20-10-7-6-8-11-20)23(28)17-27-26(30)21-12-9-13-22(16-21)31-3/h6-13,15-16H,4-5,14,17-18H2,1-3H3,(H,27,30)
InChIKeyPRQKIFOQXGSWLW-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.47
Rot. Bonds10

About N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide

N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide (PubChem CID 167438203) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide
PubChem CID167438203
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide
SMILESCCCCn1c(C)cc(=O)c(OCc2ccccc2)c1CNC(=O)c1cccc(OC)c1
InChIInChI=1S/C26H30N2O4/c1-4-5-14-28-19(2)15-24(29)25(32-18-20-10-7-6-8-11-20)23(28)17-27-26(30)21-12-9-13-22(16-21)31-3/h6-13,15-16H,4-5,14,17-18H2,1-3H3,(H,27,30)
InChIKeyPRQKIFOQXGSWLW-UHFFFAOYSA-N
XLogP4.47
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-6-methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 156776486
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide
CID 162644637
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
CID 156776484
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3-methoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4196663
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935
3-methoxy-N-tridecylbenzamide
CID 139819898
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193

Frequently Asked Questions

What is the IUPAC name of N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide (CID 167438203) is N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide is CCCCn1c(C)cc(=O)c(OCc2ccccc2)c1CNC(=O)c1cccc(OC)c1.
What is the InChIKey of N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide?
The InChIKey is PRQKIFOQXGSWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-4-5-14-28-19(2)15-24(29)25(32-18-20-10-7-6-8-11-20)23(28)17-27-26(30)21-12-9-13-22(16-21)31-3/h6-13,15-16H,4-5,14,17-18H2,1-3H3,(H,27,30).
What are the key properties of N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide?
N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide has a molecular weight of 434.54 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 167438203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).