N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide

C19H14ClN3O3 — CID 113033223

IUPACN-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2Cl)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14ClN3O3/c20-14-3-1-2-4-15(14)22-13-6-8-18(21-10-13)23-19(24)12-5-7-16-17(9-12)26-11-25-16/h1-10,22H,11H2,(H,21,23,24)
InChIKeyIIIUIZZORWIDPJ-UHFFFAOYSA-N
MW367.79 g/mol
LogP4.46
Rot. Bonds4

About N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide

N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113033223) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
PubChem CID113033223
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC NameN-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2Cl)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14ClN3O3/c20-14-3-1-2-4-15(14)22-13-6-8-18(21-10-13)23-19(24)12-5-7-16-17(9-12)26-11-25-16/h1-10,22H,11H2,(H,21,23,24)
InChIKeyIIIUIZZORWIDPJ-UHFFFAOYSA-N
XLogP4.46
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113034521
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032826
N-[6-(2-cyanoanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113022682
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
2-(1,3-benzodioxol-5-ylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109268628
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-[5-(3-phenylpropylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113029836
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113018852

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide (CID 113033223) is N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(Nc2ccccc2Cl)cn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is IIIUIZZORWIDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c20-14-3-1-2-4-15(14)22-13-6-8-18(21-10-13)23-19(24)12-5-7-16-17(9-12)26-11-25-16/h1-10,22H,11H2,(H,21,23,24).
What are the key properties of N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 367.79 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113033223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).