1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide

C18H17N5O6 — CID 55531472

IUPAC1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2C(=O)NC2CC2)c1=O
InChIInChI=1S/C18H17N5O6/c19-16(25)13-7-11(23(28)29)8-22(18(13)27)9-15(24)21-14-4-2-1-3-12(14)17(26)20-10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H2,19,25)(H,20,26)(H,21,24)
InChIKeyQNWOGADOTHMMKZ-UHFFFAOYSA-N
MW399.36 g/mol
LogP0.39
Rot. Bonds7

About 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide

1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide (PubChem CID 55531472) has the molecular formula C18H17N5O6 and a molecular weight of 399.36 g/mol. Its IUPAC name is 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
PubChem CID55531472
Molecular FormulaC18H17N5O6
Molecular Weight399.36 g/mol
Exact Mass399.12
IUPAC Name1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2C(=O)NC2CC2)c1=O
InChIInChI=1S/C18H17N5O6/c19-16(25)13-7-11(23(28)29)8-22(18(13)27)9-15(24)21-14-4-2-1-3-12(14)17(26)20-10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H2,19,25)(H,20,26)(H,21,24)
InChIKeyQNWOGADOTHMMKZ-UHFFFAOYSA-N
XLogP0.39
TPSA166.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 50.39
H-Bond Donors ≤ 53
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

N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide
CID 16610937
N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 55366968
N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 17411352
N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55841828
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
N-cyclohexyl-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 2928177
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-nitrobenzoate
CID 9454767
N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 8632179
5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide
CID 55531473
2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide
CID 84572307

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide (CID 55531472) is 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccccc2C(=O)NC2CC2)c1=O.
What is the InChIKey of 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
The InChIKey is QNWOGADOTHMMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O6/c19-16(25)13-7-11(23(28)29)8-22(18(13)27)9-15(24)21-14-4-2-1-3-12(14)17(26)20-10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H2,19,25)(H,20,26)(H,21,24).
What are the key properties of 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide?
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide has a molecular weight of 399.36 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 55531472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).