2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide

C11H13ClN4O4 — CID 103732129

IUPAC2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN4O4/c1-3-13-10(17)6(2)15-11(18)7-4-9(12)14-5-8(7)16(19)20/h4-6H,3H2,1-2H3,(H,13,17)(H,15,18)
InChIKeyGPMZWJARLCVHRC-UHFFFAOYSA-N
MW300.70 g/mol
LogP0.90
Rot. Bonds5

About 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide

2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide (PubChem CID 103732129) has the molecular formula C11H13ClN4O4 and a molecular weight of 300.70 g/mol. Its IUPAC name is 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide
PubChem CID103732129
Molecular FormulaC11H13ClN4O4
Molecular Weight300.70 g/mol
Exact Mass300.06
IUPAC Name2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN4O4/c1-3-13-10(17)6(2)15-11(18)7-4-9(12)14-5-8(7)16(19)20/h4-6H,3H2,1-2H3,(H,13,17)(H,15,18)
InChIKeyGPMZWJARLCVHRC-UHFFFAOYSA-N
XLogP0.90
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 50.90
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-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
CID 103885996
2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide
CID 113251137
N-butyl-2-chloro-5-nitropyridine-4-carboxamide
CID 103730741
N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(methylamino)-2-nitrobenzamide
CID 62176241
2-chloro-N-(1-cyclobutylethyl)-5-nitropyridine-4-carboxamide
CID 113338565
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 60630645
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
2-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-nitropyridine-4-carboxamide
CID 103732716
5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61041542
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 104583556

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide (CID 103732129) is 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide is CCNC(=O)C(C)NC(=O)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide?
The InChIKey is GPMZWJARLCVHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O4/c1-3-13-10(17)6(2)15-11(18)7-4-9(12)14-5-8(7)16(19)20/h4-6H,3H2,1-2H3,(H,13,17)(H,15,18).
What are the key properties of 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide?
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide has a molecular weight of 300.70 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103732129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).