2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide

C15H14ClN3O4 — CID 110493104

IUPAC2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccnc(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14ClN3O4/c1-2-7-23-11-3-4-12(13(9-11)19(21)22)18-15(20)10-5-6-17-14(16)8-10/h3-6,8-9H,2,7H2,1H3,(H,18,20)
InChIKeyPCMCLKYYONJNAF-UHFFFAOYSA-N
MW335.75 g/mol
LogP3.68
Rot. Bonds6

About 2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide

2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide (PubChem CID 110493104) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is 2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide
PubChem CID110493104
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccnc(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14ClN3O4/c1-2-7-23-11-3-4-12(13(9-11)19(21)22)18-15(20)10-5-6-17-14(16)8-10/h3-6,8-9H,2,7H2,1H3,(H,18,20)
InChIKeyPCMCLKYYONJNAF-UHFFFAOYSA-N
XLogP3.68
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.68
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

4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide
CID 61040669
N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide
CID 110493019
1-(3-chlorophenyl)-3-(2-nitro-4-propoxyphenyl)urea
CID 110493012
N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
CID 3375045
N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
CID 110493070
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
3,4,5-triethoxy-N-(4-ethoxy-2-nitrophenyl)benzamide
CID 2862752
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 24524517
2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide (CID 110493104) is 2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide is CCCOc1ccc(NC(=O)c2ccnc(Cl)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide?
The InChIKey is PCMCLKYYONJNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-2-7-23-11-3-4-12(13(9-11)19(21)22)18-15(20)10-5-6-17-14(16)8-10/h3-6,8-9H,2,7H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide?
2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide has a molecular weight of 335.75 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 110493104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).