N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide

C15H14ClN3O5 — CID 34136931

IUPACN-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)cc1OC
InChIInChI=1S/C15H14ClN3O5/c1-3-24-13-7-11(19(21)22)10(6-12(13)23-2)15(20)18-14-5-4-9(16)8-17-14/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyCDPDYSNAAMQIRV-UHFFFAOYSA-N
MW351.75 g/mol
LogP3.30
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide

N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide (PubChem CID 34136931) has the molecular formula C15H14ClN3O5 and a molecular weight of 351.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
PubChem CID34136931
Molecular FormulaC15H14ClN3O5
Molecular Weight351.75 g/mol
Exact Mass351.06
IUPAC NameN-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)cc1OC
InChIInChI=1S/C15H14ClN3O5/c1-3-24-13-7-11(19(21)22)10(6-12(13)23-2)15(20)18-14-5-4-9(16)8-17-14/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyCDPDYSNAAMQIRV-UHFFFAOYSA-N
XLogP3.30
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 18200168
N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 26719659
N-(5-chloro-2-pyridinyl)-1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 55813064
N-[1-(2,4-dichlorophenyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 46654233
4-ethoxy-5-methoxy-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9255470
N-(4-acetamido-3-chlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 41305442
N-[6-(dimethylamino)-3-pyridinyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 30295546
N-(2,4-dimethoxyphenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 8927273
N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 34051188
4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide
CID 31920662
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide
CID 8530810
5-ethoxy-4-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 42122425

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide (CID 34136931) is N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide is CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)cc1OC.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide?
The InChIKey is CDPDYSNAAMQIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5/c1-3-24-13-7-11(19(21)22)10(6-12(13)23-2)15(20)18-14-5-4-9(16)8-17-14/h4-8H,3H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide?
N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide has a molecular weight of 351.75 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide is sourced from PubChem (CID 34136931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).