N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide

C20H15ClFN3O3 — CID 109163738

IUPACN-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Nc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C20H15ClFN3O3/c21-15-9-13(2-4-16(15)22)25-20(26)12-1-6-19(23-11-12)24-14-3-5-17-18(10-14)28-8-7-27-17/h1-6,9-11H,7-8H2,(H,23,24)(H,25,26)
InChIKeyKFLFYCMZUUHVPR-UHFFFAOYSA-N
MW399.81 g/mol
LogP4.64
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide (PubChem CID 109163738) has the molecular formula C20H15ClFN3O3 and a molecular weight of 399.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
PubChem CID109163738
Molecular FormulaC20H15ClFN3O3
Molecular Weight399.81 g/mol
Exact Mass399.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Nc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C20H15ClFN3O3/c21-15-9-13(2-4-16(15)22)25-20(26)12-1-6-19(23-11-12)24-14-3-5-17-18(10-14)28-8-7-27-17/h1-6,9-11H,7-8H2,(H,23,24)(H,25,26)
InChIKeyKFLFYCMZUUHVPR-UHFFFAOYSA-N
XLogP4.64
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluoroanilino)pyridine-3-carboxamide
CID 109163283
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-(4-chloro-2-methylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109163651
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
N-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109157029
6-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109163546
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
N-(1,3-benzodioxol-5-yl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163587
2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109178842
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162603
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide (CID 109163738) is N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Nc2ccc3c(c2)OCCO3)nc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is KFLFYCMZUUHVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O3/c21-15-9-13(2-4-16(15)22)25-20(26)12-1-6-19(23-11-12)24-14-3-5-17-18(10-14)28-8-7-27-17/h1-6,9-11H,7-8H2,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 399.81 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109163738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).