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

C23H38N2O4 — CID 67520087

IUPACmethyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCCCCc1c(CCC)cc(C(=O)NC(C(=O)OC)C(C)C)c(=O)n1CCCC
InChIInChI=1S/C23H38N2O4/c1-7-10-13-19-17(12-9-3)15-18(22(27)25(19)14-11-8-2)21(26)24-20(16(4)5)23(28)29-6/h15-16,20H,7-14H2,1-6H3,(H,24,26)
InChIKeyLEKLAPAOBBBCKR-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.87
Rot. Bonds12

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

methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate (PubChem CID 67520087) has the molecular formula C23H38N2O4 and a molecular weight of 406.57 g/mol. Its IUPAC name is methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate
PubChem CID67520087
Molecular FormulaC23H38N2O4
Molecular Weight406.57 g/mol
Exact Mass406.28
IUPAC Namemethyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCCCCc1c(CCC)cc(C(=O)NC(C(=O)OC)C(C)C)c(=O)n1CCCC
InChIInChI=1S/C23H38N2O4/c1-7-10-13-19-17(12-9-3)15-18(22(27)25(19)14-11-8-2)21(26)24-20(16(4)5)23(28)29-6/h15-16,20H,7-14H2,1-6H3,(H,24,26)
InChIKeyLEKLAPAOBBBCKR-UHFFFAOYSA-N
XLogP3.87
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate (CID 67520087) is methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate is CCCCc1c(CCC)cc(C(=O)NC(C(=O)OC)C(C)C)c(=O)n1CCCC.
What is the InChIKey of methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate?
The InChIKey is LEKLAPAOBBBCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O4/c1-7-10-13-19-17(12-9-3)15-18(22(27)25(19)14-11-8-2)21(26)24-20(16(4)5)23(28)29-6/h15-16,20H,7-14H2,1-6H3,(H,24,26).
What are the key properties of methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate has a molecular weight of 406.57 g/mol, XLogP of 3.87, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 67520087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).