methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate

C22H36N2O4 — CID 67522440

IUPACmethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC(CC(C)C)C(=O)OC)c1=O
InChIInChI=1S/C22H36N2O4/c1-7-10-12-24-19(11-8-2)16(9-3)14-17(21(24)26)20(25)23-18(13-15(4)5)22(27)28-6/h14-15,18H,7-13H2,1-6H3,(H,23,25)
InChIKeyWBNAFOHYFNHHNM-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.48
Rot. Bonds11

About methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate

methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate (PubChem CID 67522440) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate
PubChem CID67522440
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Namemethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC(CC(C)C)C(=O)OC)c1=O
InChIInChI=1S/C22H36N2O4/c1-7-10-12-24-19(11-8-2)16(9-3)14-17(21(24)26)20(25)23-18(13-15(4)5)22(27)28-6/h14-15,18H,7-13H2,1-6H3,(H,23,25)
InChIKeyWBNAFOHYFNHHNM-UHFFFAOYSA-N
XLogP3.48
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate (CID 67522440) is methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate is CCCCn1c(CCC)c(CC)cc(C(=O)NC(CC(C)C)C(=O)OC)c1=O.
What is the InChIKey of methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate?
The InChIKey is WBNAFOHYFNHHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-7-10-12-24-19(11-8-2)16(9-3)14-17(21(24)26)20(25)23-18(13-15(4)5)22(27)28-6/h14-15,18H,7-13H2,1-6H3,(H,23,25).
What are the key properties of methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate?
methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate has a molecular weight of 392.54 g/mol, XLogP of 3.48, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate is sourced from PubChem (CID 67522440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).