N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide

C20H21ClN2O4 — CID 142265619

IUPACN-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c[nH]c2oc(CCCCCO)cc2c1=O
InChIInChI=1S/C20H21ClN2O4/c21-14-7-5-13(6-8-14)11-22-19(26)17-12-23-20-16(18(17)25)10-15(27-20)4-2-1-3-9-24/h5-8,10,12,24H,1-4,9,11H2,(H,22,26)(H,23,25)
InChIKeyLCPXFRMLNBUJPU-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.41
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide (PubChem CID 142265619) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide
PubChem CID142265619
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c[nH]c2oc(CCCCCO)cc2c1=O
InChIInChI=1S/C20H21ClN2O4/c21-14-7-5-13(6-8-14)11-22-19(26)17-12-23-20-16(18(17)25)10-15(27-20)4-2-1-3-9-24/h5-8,10,12,24H,1-4,9,11H2,(H,22,26)(H,23,25)
InChIKeyLCPXFRMLNBUJPU-UHFFFAOYSA-N
XLogP3.41
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
CID 18698657
8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
N-[(4-chlorophenyl)methyl]-6-fluoro-7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 10363006
N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-6-prop-2-ynyl-1H-quinoline-3-carboxamide
CID 87958223
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
N-[(4-chlorophenyl)methyl]-6,8-difluoro-4-oxo-7-propan-2-yloxy-1H-quinoline-3-carboxamide
CID 18698574
N-[(4-chlorophenyl)methyl]-6-(2,3-dihydroxypropylsulfamoyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 18698593
N-[(4-chlorophenyl)methyl]-2-(3-hydroxypropyl)-4-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide
CID 6482396
N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-2,10-dioxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 10159482

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide (CID 142265619) is N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide is O=C(NCc1ccc(Cl)cc1)c1c[nH]c2oc(CCCCCO)cc2c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide?
The InChIKey is LCPXFRMLNBUJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c21-14-7-5-13(6-8-14)11-22-19(26)17-12-23-20-16(18(17)25)10-15(27-20)4-2-1-3-9-24/h5-8,10,12,24H,1-4,9,11H2,(H,22,26)(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 142265619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).