N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide

C9H9ClN4O5 — CID 106164488

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C9H9ClN4O5/c10-7-5(1-4(2-12-7)14(18)19)9(17)13-3-6(15)8(11)16/h1-2,6,15H,3H2,(H2,11,16)(H,13,17)
InChIKeyXLRMGKLTIWQEEK-UHFFFAOYSA-N
MW288.65 g/mol
LogP-0.78
Rot. Bonds5

About N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide (PubChem CID 106164488) has the molecular formula C9H9ClN4O5 and a molecular weight of 288.65 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide
PubChem CID106164488
Molecular FormulaC9H9ClN4O5
Molecular Weight288.65 g/mol
Exact Mass288.03
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C9H9ClN4O5/c10-7-5(1-4(2-12-7)14(18)19)9(17)13-3-6(15)8(11)16/h1-2,6,15H,3H2,(H2,11,16)(H,13,17)
InChIKeyXLRMGKLTIWQEEK-UHFFFAOYSA-N
XLogP-0.78
TPSA148.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.65
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
2-chloro-N-(2-cyanopropyl)-5-nitropyridine-3-carboxamide
CID 103803947
methyl (2S)-2-[(2-chloro-5-nitropyridine-3-carbonyl)amino]propanoate
CID 103803511
2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
CID 103803521
2-chloro-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-carboxamide
CID 106291227
2-chloro-N-[3-(methylamino)propyl]-5-nitropyridine-3-carboxamide
CID 114046917
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-nitropyridine-3-carboxamide
CID 114046633
2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-nitropyridine-3-carboxamide
CID 103803926
2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
CID 103817351
2-chloro-N-(3-methylsulfonylpropyl)-5-nitropyridine-3-carboxamide
CID 103803706
2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 106170845
2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 114185998

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide (CID 106164488) is N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide is NC(=O)C(O)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide?
The InChIKey is XLRMGKLTIWQEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O5/c10-7-5(1-4(2-12-7)14(18)19)9(17)13-3-6(15)8(11)16/h1-2,6,15H,3H2,(H2,11,16)(H,13,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide has a molecular weight of 288.65 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 106164488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).