methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate

C19H30N2O4 — CID 67519949

IUPACmethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C(=O)OC)C(C)CC)c1=O
InChIInChI=1S/C19H30N2O4/c1-7-9-10-21-14(5)13(4)11-15(18(21)23)17(22)20-16(12(3)8-2)19(24)25-6/h11-12,16H,7-10H2,1-6H3,(H,20,22)
InChIKeyKDJSQGCHUWNHBL-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.58
Rot. Bonds8

About methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate

methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate (PubChem CID 67519949) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate
PubChem CID67519949
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namemethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C(=O)OC)C(C)CC)c1=O
InChIInChI=1S/C19H30N2O4/c1-7-9-10-21-14(5)13(4)11-15(18(21)23)17(22)20-16(12(3)8-2)19(24)25-6/h11-12,16H,7-10H2,1-6H3,(H,20,22)
InChIKeyKDJSQGCHUWNHBL-UHFFFAOYSA-N
XLogP2.58
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.58
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-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate (CID 67519949) is methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate is CCCCn1c(C)c(C)cc(C(=O)NC(C(=O)OC)C(C)CC)c1=O.
What is the InChIKey of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate?
The InChIKey is KDJSQGCHUWNHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-7-9-10-21-14(5)13(4)11-15(18(21)23)17(22)20-16(12(3)8-2)19(24)25-6/h11-12,16H,7-10H2,1-6H3,(H,20,22).
What are the key properties of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate?
methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate has a molecular weight of 350.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate is sourced from PubChem (CID 67519949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).