5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide

C19H12BrClN4O2 — CID 71934594

IUPAC5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C19H12BrClN4O2/c1-11-7-14(27-19-12(9-22)3-2-6-23-19)4-5-16(11)25-18(26)15-8-13(20)10-24-17(15)21/h2-8,10H,1H3,(H,25,26)
InChIKeyUAFPFQAAMAEANS-UHFFFAOYSA-N
MW443.69 g/mol
LogP5.12
Rot. Bonds4

About 5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 71934594) has the molecular formula C19H12BrClN4O2 and a molecular weight of 443.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID71934594
Molecular FormulaC19H12BrClN4O2
Molecular Weight443.69 g/mol
Exact Mass441.98
IUPAC Name5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C19H12BrClN4O2/c1-11-7-14(27-19-12(9-22)3-2-6-23-19)4-5-16(11)25-18(26)15-8-13(20)10-24-17(15)21/h2-8,10H,1H3,(H,25,26)
InChIKeyUAFPFQAAMAEANS-UHFFFAOYSA-N
XLogP5.12
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.69
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 167915628
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
CID 55763946
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48576700
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 46428399
5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide
CID 55763912
7-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 55647529
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 112830947
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46485325
3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763808
2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 60545133

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide (CID 71934594) is 5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is UAFPFQAAMAEANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClN4O2/c1-11-7-14(27-19-12(9-22)3-2-6-23-19)4-5-16(11)25-18(26)15-8-13(20)10-24-17(15)21/h2-8,10H,1H3,(H,25,26).
What are the key properties of 5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 443.69 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71934594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).