2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide

C9H9ClN4O4 — CID 103803521

IUPAC2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
SMILESCNC(=O)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C9H9ClN4O4/c1-11-7(15)4-13-9(16)6-2-5(14(17)18)3-12-8(6)10/h2-3H,4H2,1H3,(H,11,15)(H,13,16)
InChIKeyQVJDBIZKPVNKDB-UHFFFAOYSA-N
MW272.65 g/mol
LogP0.12
Rot. Bonds4

About 2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide

2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide (PubChem CID 103803521) has the molecular formula C9H9ClN4O4 and a molecular weight of 272.65 g/mol. Its IUPAC name is 2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
PubChem CID103803521
Molecular FormulaC9H9ClN4O4
Molecular Weight272.65 g/mol
Exact Mass272.03
IUPAC Name2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
SMILESCNC(=O)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C9H9ClN4O4/c1-11-7(15)4-13-9(16)6-2-5(14(17)18)3-12-8(6)10/h2-3H,4H2,1H3,(H,11,15)(H,13,16)
InChIKeyQVJDBIZKPVNKDB-UHFFFAOYSA-N
XLogP0.12
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.65
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(methylamino)propyl]-5-nitropyridine-3-carboxamide
CID 114046917
2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
2-chloro-N-(2-cyanopropyl)-5-nitropyridine-3-carboxamide
CID 103803947
2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-nitropyridine-3-carboxamide
CID 103803926
2-chloro-N-(3-methylsulfonylpropyl)-5-nitropyridine-3-carboxamide
CID 103803706
N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide
CID 106164488
methyl (2S)-2-[(2-chloro-5-nitropyridine-3-carbonyl)amino]propanoate
CID 103803511
2-chloro-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-carboxamide
CID 106291227
2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
CID 103817351
2-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridine-3-carboxamide
CID 103803661
2-chloro-N-[(3-methylphenyl)methyl]-5-nitropyridine-3-carboxamide
CID 103803534
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-nitropyridine-3-carboxamide
CID 103803639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide (CID 103803521) is 2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide is CNC(=O)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of 2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide?
The InChIKey is QVJDBIZKPVNKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O4/c1-11-7(15)4-13-9(16)6-2-5(14(17)18)3-12-8(6)10/h2-3H,4H2,1H3,(H,11,15)(H,13,16).
What are the key properties of 2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide?
2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide has a molecular weight of 272.65 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 103803521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).