2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid

C19H30N2O4 — CID 174523181

IUPAC2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(CC(C)CC)C(=O)O)c1=O
InChIInChI=1S/C19H30N2O4/c1-6-8-9-21-14(5)13(4)11-15(18(21)23)17(22)20-16(19(24)25)10-12(3)7-2/h11-12,16H,6-10H2,1-5H3,(H,20,22)(H,24,25)
InChIKeySYTMOTODEXCERU-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.88
Rot. Bonds9

About 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid

2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid (PubChem CID 174523181) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid
PubChem CID174523181
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(CC(C)CC)C(=O)O)c1=O
InChIInChI=1S/C19H30N2O4/c1-6-8-9-21-14(5)13(4)11-15(18(21)23)17(22)20-16(19(24)25)10-12(3)7-2/h11-12,16H,6-10H2,1-5H3,(H,20,22)(H,24,25)
InChIKeySYTMOTODEXCERU-UHFFFAOYSA-N
XLogP2.88
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-3-methylbutanoic acid
CID 67520157
1-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 67520222
1-[(5-Bromo-1-butyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70683383
1-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 70689695
(2S)-2-cyclohexyl-2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]acetic acid
CID 70689696
1-[(1-Butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70691826
1-[(1-Butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70696000
8-[(1,4,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72909157
(2S)-2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4-fluoro-3-methylbutanoic acid
CID 68167501
1-[[6-Ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-difluorocyclohexane-1-carboxylic acid
CID 69474469
(2S)-2-[[1-(4-fluorobutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-3-methylbutanoic acid
CID 69475754
1-[[6-ethyl-1-[[(6S)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]methyl]-5-methyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 173496713

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid?
The IUPAC name of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid (CID 174523181) is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid?
The canonical SMILES for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid is CCCCn1c(C)c(C)cc(C(=O)NC(CC(C)CC)C(=O)O)c1=O.
What is the InChIKey of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid?
The InChIKey is SYTMOTODEXCERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-8-9-21-14(5)13(4)11-15(18(21)23)17(22)20-16(19(24)25)10-12(3)7-2/h11-12,16H,6-10H2,1-5H3,(H,20,22)(H,24,25).
What are the key properties of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid?
2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid has a molecular weight of 350.46 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 174523181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).