1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide

C19H15ClN4O6 — CID 34351279

IUPAC1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1=O
InChIInChI=1S/C19H15ClN4O6/c20-12-3-1-11(2-4-12)16-6-5-14(30-16)8-22-17(25)10-23-9-13(24(28)29)7-15(18(21)26)19(23)27/h1-7,9H,8,10H2,(H2,21,26)(H,22,25)
InChIKeyRQHMNVXOMHHQAK-UHFFFAOYSA-N
MW430.80 g/mol
LogP2.09
Rot. Bonds7

About 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide

1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide (PubChem CID 34351279) has the molecular formula C19H15ClN4O6 and a molecular weight of 430.80 g/mol. Its IUPAC name is 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
PubChem CID34351279
Molecular FormulaC19H15ClN4O6
Molecular Weight430.80 g/mol
Exact Mass430.07
IUPAC Name1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1=O
InChIInChI=1S/C19H15ClN4O6/c20-12-3-1-11(2-4-12)16-6-5-14(30-16)8-22-17(25)10-23-9-13(24(28)29)7-15(18(21)26)19(23)27/h1-7,9H,8,10H2,(H2,21,26)(H,22,25)
InChIKeyRQHMNVXOMHHQAK-UHFFFAOYSA-N
XLogP2.09
TPSA150.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 55546776
5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 35500675
5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide
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N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26662916
2-[4-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 55381607
1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 25490131
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 42944838
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 55546364
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520469
1-[2-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 25379996
5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 34349709

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide (CID 34351279) is 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1=O.
What is the InChIKey of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
The InChIKey is RQHMNVXOMHHQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O6/c20-12-3-1-11(2-4-12)16-6-5-14(30-16)8-22-17(25)10-23-9-13(24(28)29)7-15(18(21)26)19(23)27/h1-7,9H,8,10H2,(H2,21,26)(H,22,25).
What are the key properties of 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide has a molecular weight of 430.80 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 34351279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).