N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide

C11H14ClN3O4 — CID 104820473

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O4/c1-2-6-19-7-5-10(16)14-11-8(15(17)18)3-4-9(12)13-11/h3-4H,2,5-7H2,1H3,(H,13,14,16)
InChIKeyZMJAEYPMQYPCRG-UHFFFAOYSA-N
MW287.70 g/mol
LogP2.40
Rot. Bonds7

About N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide

N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide (PubChem CID 104820473) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide
PubChem CID104820473
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O4/c1-2-6-19-7-5-10(16)14-11-8(15(17)18)3-4-9(12)13-11/h3-4H,2,5-7H2,1H3,(H,13,14,16)
InChIKeyZMJAEYPMQYPCRG-UHFFFAOYSA-N
XLogP2.40
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
CID 104820229
N-(6-chloro-3-nitro-2-pyridinyl)-4-ethoxybutanamide
CID 104820471
6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
CID 87810175
N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 113456785
N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 104820323
6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
CID 43591616
N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide
CID 19759381
N-(6-chloro-3-nitro-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 104820352
N-(6-chloro-3-nitro-2-pyridinyl)but-2-ynamide
CID 107996143
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
methyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]butanoate
CID 114284015
N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
CID 104821414

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide (CID 104820473) is N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide is CCCOCCC(=O)Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide?
The InChIKey is ZMJAEYPMQYPCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-2-6-19-7-5-10(16)14-11-8(15(17)18)3-4-9(12)13-11/h3-4H,2,5-7H2,1H3,(H,13,14,16).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide?
N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide has a molecular weight of 287.70 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide is sourced from PubChem (CID 104820473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).