methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate

C14H18N2O4 — CID 137349349

IUPACmethyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C14H18N2O4/c1-20-12(17)6-3-7-15-13(18)10-8-9-4-2-5-11(9)16-14(10)19/h8H,2-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyLFOKUSURFOQCKJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.55
Rot. Bonds5

About methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate

methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate (PubChem CID 137349349) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate
PubChem CID137349349
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C14H18N2O4/c1-20-12(17)6-3-7-15-13(18)10-8-9-4-2-5-11(9)16-14(10)19/h8H,2-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyLFOKUSURFOQCKJ-UHFFFAOYSA-N
XLogP0.55
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate with MolForge

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Related Compounds

N-[2-(ethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119508881
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
2-oxo-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119394055
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119621149
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51054939
N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 72899224
2-oxo-N-(2-piperidin-3-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119558878
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71891797
2-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 77079049
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 154748320
N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71884873

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate (CID 137349349) is methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate is COC(=O)CCCNC(=O)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate?
The InChIKey is LFOKUSURFOQCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-12(17)6-3-7-15-13(18)10-8-9-4-2-5-11(9)16-14(10)19/h8H,2-7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate?
methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate has a molecular weight of 278.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 137349349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).