methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate

C19H30N2O4 — CID 69473584

IUPACmethyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)N[C@H](CC(C)C)C(=O)OC)c1=O
InChIInChI=1S/C19H30N2O4/c1-7-8-9-21-14(5)13(4)11-15(18(21)23)17(22)20-16(10-12(2)3)19(24)25-6/h11-12,16H,7-10H2,1-6H3,(H,20,22)/t16-/m1/s1
InChIKeyPLPNJJHWYLFJQW-MRXNPFEDSA-N
MW350.46 g/mol
LogP2.58
Rot. Bonds8

About methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate

methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate (PubChem CID 69473584) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate
PubChem CID69473584
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namemethyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)N[C@H](CC(C)C)C(=O)OC)c1=O
InChIInChI=1S/C19H30N2O4/c1-7-8-9-21-14(5)13(4)11-15(18(21)23)17(22)20-16(10-12(2)3)19(24)25-6/h11-12,16H,7-10H2,1-6H3,(H,20,22)/t16-/m1/s1
InChIKeyPLPNJJHWYLFJQW-MRXNPFEDSA-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 (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate (CID 69473584) is methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate is CCCCn1c(C)c(C)cc(C(=O)N[C@H](CC(C)C)C(=O)OC)c1=O.
What is the InChIKey of methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate?
The InChIKey is PLPNJJHWYLFJQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-7-8-9-21-14(5)13(4)11-15(18(21)23)17(22)20-16(10-12(2)3)19(24)25-6/h11-12,16H,7-10H2,1-6H3,(H,20,22)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate?
methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-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 (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate is sourced from PubChem (CID 69473584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).