methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate

C18H28N2O4 — CID 75446915

IUPACmethyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate
SMILESCOC(=O)CCCCCCNC(=O)c1cc(CC(C)C)[nH]c(=O)c1
InChIInChI=1S/C18H28N2O4/c1-13(2)10-15-11-14(12-16(21)20-15)18(23)19-9-7-5-4-6-8-17(22)24-3/h11-13H,4-10H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyJLCUZXJMRRLDPY-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.43
Rot. Bonds10

About methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate

methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate (PubChem CID 75446915) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate.

Molecular Properties

Compound Namemethyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate
PubChem CID75446915
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Namemethyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate
SMILESCOC(=O)CCCCCCNC(=O)c1cc(CC(C)C)[nH]c(=O)c1
InChIInChI=1S/C18H28N2O4/c1-13(2)10-15-11-14(12-16(21)20-15)18(23)19-9-7-5-4-6-8-17(22)24-3/h11-13H,4-10H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyJLCUZXJMRRLDPY-UHFFFAOYSA-N
XLogP2.43
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
2-methyl-5-[[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 120523942
methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
CID 110488216
methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate
CID 31840736
methyl 6-[(5-bromothiophene-3-carbonyl)amino]hexanoate
CID 43423629
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
methyl 6-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]hexanoate
CID 31841297
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530

Frequently Asked Questions

What is the IUPAC name of methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate?
The IUPAC name of methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate (CID 75446915) is methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate.
What is the SMILES notation for methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate?
The canonical SMILES for methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate is COC(=O)CCCCCCNC(=O)c1cc(CC(C)C)[nH]c(=O)c1.
What is the InChIKey of methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate?
The InChIKey is JLCUZXJMRRLDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13(2)10-15-11-14(12-16(21)20-15)18(23)19-9-7-5-4-6-8-17(22)24-3/h11-13H,4-10H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate?
methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate has a molecular weight of 336.43 g/mol, XLogP of 2.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]heptanoate is sourced from PubChem (CID 75446915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).