2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide

C11H14ClN3O4 — CID 103855583

IUPAC2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide
SMILESCCN(CCCO)C(=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O4/c1-2-14(4-3-5-16)11(17)8-6-10(12)13-7-9(8)15(18)19/h6-7,16H,2-5H2,1H3
InChIKeyPRNVHFOPHOHYMT-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.49
Rot. Bonds6

About 2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide

2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide (PubChem CID 103855583) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide
PubChem CID103855583
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide
SMILESCCN(CCCO)C(=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O4/c1-2-14(4-3-5-16)11(17)8-6-10(12)13-7-9(8)15(18)19/h6-7,16H,2-5H2,1H3
InChIKeyPRNVHFOPHOHYMT-UHFFFAOYSA-N
XLogP1.49
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.49
H-Bond Donors ≤ 51
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,N-bis(2-cyanoethyl)-5-nitropyridine-4-carboxamide
CID 103733187
2-chloro-5-nitro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 103730747
2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide
CID 114089856
2-chloro-N-methyl-N-(2-methylbutan-2-yl)-5-nitropyridine-4-carboxamide
CID 103733883
2-chloro-N-methyl-N-(2-methylsulfanylethyl)-5-nitropyridine-4-carboxamide
CID 103747642
N-butyl-2-chloro-5-nitropyridine-4-carboxamide
CID 103730741
2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide
CID 114230892
5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 113339390
5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 114046044
2-chloro-N-methyl-5-nitro-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 103771796
N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide
CID 104773326
2-chloro-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-5-nitropyridine-4-carboxamide
CID 102737716

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide (CID 103855583) is 2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide is CCN(CCCO)C(=O)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide?
The InChIKey is PRNVHFOPHOHYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-2-14(4-3-5-16)11(17)8-6-10(12)13-7-9(8)15(18)19/h6-7,16H,2-5H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide?
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide has a molecular weight of 287.70 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103855583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).