N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide

C28H34N2O5 — CID 129032132

IUPACN-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCCc1[nH]c(=O)c(C(=O)N(CCC)Cc2ccccc2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C28H34N2O5/c1-5-7-14-20-23(24-21(34-3)15-11-16-22(24)35-4)26(31)25(27(32)29-20)28(33)30(17-6-2)18-19-12-9-8-10-13-19/h8-13,15-16H,5-7,14,17-18H2,1-4H3,(H2,29,31,32)
InChIKeyVBXHAJWRRCOBEF-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.16
Rot. Bonds11

About N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide

N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide (PubChem CID 129032132) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide
PubChem CID129032132
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC NameN-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide
SMILESCCCCc1[nH]c(=O)c(C(=O)N(CCC)Cc2ccccc2)c(O)c1-c1c(OC)cccc1OC
InChIInChI=1S/C28H34N2O5/c1-5-7-14-20-23(24-21(34-3)15-11-16-22(24)35-4)26(31)25(27(32)29-20)28(33)30(17-6-2)18-19-12-9-8-10-13-19/h8-13,15-16H,5-7,14,17-18H2,1-4H3,(H2,29,31,32)
InChIKeyVBXHAJWRRCOBEF-UHFFFAOYSA-N
XLogP5.16
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide (CID 129032132) is N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide is CCCCc1[nH]c(=O)c(C(=O)N(CCC)Cc2ccccc2)c(O)c1-c1c(OC)cccc1OC.
What is the InChIKey of N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
The InChIKey is VBXHAJWRRCOBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-5-7-14-20-23(24-21(34-3)15-11-16-22(24)35-4)26(31)25(27(32)29-20)28(33)30(17-6-2)18-19-12-9-8-10-13-19/h8-13,15-16H,5-7,14,17-18H2,1-4H3,(H2,29,31,32).
What are the key properties of N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide?
N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 5.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-N-propyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129032132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).