5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide

C19H13ClFN3O3 — CID 109199527

IUPAC5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C19H13ClFN3O3/c20-14-7-11(1-4-15(14)21)24-19(25)16-5-2-13(9-22-16)23-12-3-6-17-18(8-12)27-10-26-17/h1-9,23H,10H2,(H,24,25)
InChIKeyPQMVASXJLIXSAS-UHFFFAOYSA-N
MW385.78 g/mol
LogP4.60
Rot. Bonds4

About 5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide

5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109199527) has the molecular formula C19H13ClFN3O3 and a molecular weight of 385.78 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
PubChem CID109199527
Molecular FormulaC19H13ClFN3O3
Molecular Weight385.78 g/mol
Exact Mass385.06
IUPAC Name5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C19H13ClFN3O3/c20-14-7-11(1-4-15(14)21)24-19(25)16-5-2-13(9-22-16)23-12-3-6-17-18(8-12)27-10-26-17/h1-9,23H,10H2,(H,24,25)
InChIKeyPQMVASXJLIXSAS-UHFFFAOYSA-N
XLogP4.60
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide (CID 109199527) is 5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Nc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is PQMVASXJLIXSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O3/c20-14-7-11(1-4-15(14)21)24-19(25)16-5-2-13(9-22-16)23-12-3-6-17-18(8-12)27-10-26-17/h1-9,23H,10H2,(H,24,25).
What are the key properties of 5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide?
5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 385.78 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109199527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).