N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide

C19H16BrN3O2 — CID 23632783

IUPACN-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ncccc2C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C19H16BrN3O2/c1-25-14-7-4-6-13(12-14)22-18-15(8-5-11-21-18)19(24)23-17-10-3-2-9-16(17)20/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyWPULXYHCVPOHQV-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.85
Rot. Bonds5

About N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide

N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide (PubChem CID 23632783) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide
PubChem CID23632783
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC NameN-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ncccc2C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C19H16BrN3O2/c1-25-14-7-4-6-13(12-14)22-18-15(8-5-11-21-18)19(24)23-17-10-3-2-9-16(17)20/h2-12H,1H3,(H,21,22)(H,23,24)
InChIKeyWPULXYHCVPOHQV-UHFFFAOYSA-N
XLogP4.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 23632516
1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one
CID 54313685
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 23632776
N-(3-methoxyphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166611
2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 23632878
N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 118724063
2-(2,6-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 23632545
2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632906
2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 23632978
N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 118724324

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide (CID 23632783) is N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide is COc1cccc(Nc2ncccc2C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is WPULXYHCVPOHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-25-14-7-4-6-13(12-14)22-18-15(8-5-11-21-18)19(24)23-17-10-3-2-9-16(17)20/h2-12H,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide?
N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 23632783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).