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

C21H34N2O4 — CID 67519659

IUPACmethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O
InChIInChI=1S/C21H34N2O4/c1-7-10-12-23-17(11-8-2)15(9-3)13-16(20(23)25)19(24)22-18(14(4)5)21(26)27-6/h13-14,18H,7-12H2,1-6H3,(H,22,24)
InChIKeyXZIOREDUUPIZNT-UHFFFAOYSA-N
MW378.51 g/mol
LogP3.09
Rot. Bonds10

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

methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate (PubChem CID 67519659) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate
PubChem CID67519659
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Namemethyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O
InChIInChI=1S/C21H34N2O4/c1-7-10-12-23-17(11-8-2)15(9-3)13-16(20(23)25)19(24)22-18(14(4)5)21(26)27-6/h13-14,18H,7-12H2,1-6H3,(H,22,24)
InChIKeyXZIOREDUUPIZNT-UHFFFAOYSA-N
XLogP3.09
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.09
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]-3-methylbutanoate?
The IUPAC name of methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate (CID 67519659) is methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate is CCCCn1c(CCC)c(CC)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O.
What is the InChIKey of methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate?
The InChIKey is XZIOREDUUPIZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-7-10-12-23-17(11-8-2)15(9-3)13-16(20(23)25)19(24)22-18(14(4)5)21(26)27-6/h13-14,18H,7-12H2,1-6H3,(H,22,24).
What are the key properties of methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate has a molecular weight of 378.51 g/mol, XLogP of 3.09, 10 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]-3-methylbutanoate is sourced from PubChem (CID 67519659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).