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

C18H28N2O4 — CID 67520487

IUPACmethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O
InChIInChI=1S/C18H28N2O4/c1-7-8-9-20-13(5)12(4)10-14(17(20)22)16(21)19-15(11(2)3)18(23)24-6/h10-11,15H,7-9H2,1-6H3,(H,19,21)
InChIKeyDDHGNZFARUUILT-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.19
Rot. Bonds7

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

methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate (PubChem CID 67520487) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate
PubChem CID67520487
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Namemethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O
InChIInChI=1S/C18H28N2O4/c1-7-8-9-20-13(5)12(4)10-14(17(20)22)16(21)19-15(11(2)3)18(23)24-6/h10-11,15H,7-9H2,1-6H3,(H,19,21)
InChIKeyDDHGNZFARUUILT-UHFFFAOYSA-N
XLogP2.19
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[6-(fluoromethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoic acid
CID 68167499
(2S)-2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4-fluoro-3-methylbutanoic acid
CID 68167501
Tert-butyl 3-methyl-2-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]butanoate
CID 16672914
5-ethyl-1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-6-propylpyridine-3-carboxamide
CID 59718763
Methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3,3-dimethylbutanoate
CID 59718794
(2S)-2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 59718870
Methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-3-methylbutanoate
CID 67519659
Methyl 2-[(1,6-dibutyl-2-oxo-5-propylpyridine-3-carbonyl)amino]-2-methylpropanoate
CID 67519668
Methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-3-methylbutanoate
CID 67519704
Methyl 2-[[1-(cyclohexylmethyl)-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl]amino]-4-methylpentanoate
CID 67519711
Methyl 2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl]amino]-3-methylbutanoate
CID 67519735
Methyl 2-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]-3-methylbutanoate
CID 67519750

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate (CID 67520487) is methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate is CCCCn1c(C)c(C)cc(C(=O)NC(C(=O)OC)C(C)C)c1=O.
What is the InChIKey of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
The InChIKey is DDHGNZFARUUILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-7-8-9-20-13(5)12(4)10-14(17(20)22)16(21)19-15(11(2)3)18(23)24-6/h10-11,15H,7-9H2,1-6H3,(H,19,21).
What are the key properties of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoate has a molecular weight of 336.43 g/mol, XLogP of 2.19, 7 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-methylbutanoate is sourced from PubChem (CID 67520487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).