N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

C17H13ClN4O4 — CID 58158527

IUPACN-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2cc(Oc3ccc([N+](=O)[O-])c(Cl)c3)ccc2n1)C1CC1
InChIInChI=1S/C17H13ClN4O4/c18-13-7-11(3-5-14(13)22(24)25)26-12-4-6-16-19-15(9-21(16)8-12)20-17(23)10-1-2-10/h3-10H,1-2H2,(H,20,23)
InChIKeyKKKHNBITQRZILZ-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.04
Rot. Bonds5

About N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58158527) has the molecular formula C17H13ClN4O4 and a molecular weight of 372.77 g/mol. Its IUPAC name is N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58158527
Molecular FormulaC17H13ClN4O4
Molecular Weight372.77 g/mol
Exact Mass372.06
IUPAC NameN-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2cc(Oc3ccc([N+](=O)[O-])c(Cl)c3)ccc2n1)C1CC1
InChIInChI=1S/C17H13ClN4O4/c18-13-7-11(3-5-14(13)22(24)25)26-12-4-6-16-19-15(9-21(16)8-12)20-17(23)10-1-2-10/h3-10H,1-2H2,(H,20,23)
InChIKeyKKKHNBITQRZILZ-UHFFFAOYSA-N
XLogP4.04
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.04
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'}

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Related Compounds

N-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58158532
benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid
CID 66968948
5-amino-N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-phenylpyrazole-3-carboxamide
CID 71044117
2-(3-chloro-4-nitrophenoxy)-1-cyclopropylethanone
CID 63904601
methyl 4-(3-chloro-4-nitrophenoxy)benzoate
CID 174330621
[3-(3-chloro-4-nitrophenoxy)pyrazol-1-yl] acetate
CID 146291997
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 58158574
2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
CID 62857419
4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62111596
N-[6-[3-chloro-6-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686220
2-(3-chloro-4-nitrophenoxy)-N-(cyclopropylmethyl)acetamide
CID 47443106
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
CID 58158620

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58158527) is N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2cc(Oc3ccc([N+](=O)[O-])c(Cl)c3)ccc2n1)C1CC1.
What is the InChIKey of N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is KKKHNBITQRZILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O4/c18-13-7-11(3-5-14(13)22(24)25)26-12-4-6-16-19-15(9-21(16)8-12)20-17(23)10-1-2-10/h3-10H,1-2H2,(H,20,23).
What are the key properties of N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 372.77 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58158527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).