N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide

C20H16BrN3O3 — CID 1132697

IUPACN-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2cccnc2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H16BrN3O3/c21-15-6-8-16(9-7-15)23-19(25)13-27-18-5-1-4-17(11-18)24-20(26)14-3-2-10-22-12-14/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyBEUBFRXHWOSXHC-UHFFFAOYSA-N
MW426.27 g/mol
LogP4.11
Rot. Bonds6

About N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide

N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide (PubChem CID 1132697) has the molecular formula C20H16BrN3O3 and a molecular weight of 426.27 g/mol. Its IUPAC name is N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide
PubChem CID1132697
Molecular FormulaC20H16BrN3O3
Molecular Weight426.27 g/mol
Exact Mass425.04
IUPAC NameN-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2cccnc2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H16BrN3O3/c21-15-6-8-16(9-7-15)23-19(25)13-27-18-5-1-4-17(11-18)24-20(26)14-3-2-10-22-12-14/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyBEUBFRXHWOSXHC-UHFFFAOYSA-N
XLogP4.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)nicotinamide
CID 668900
N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 532822
N-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)nicotinamide
CID 852868
N-(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)nicotinamide
CID 1236511
[2-[4-[(2-Methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2411629
N-(3-isopropoxyphenyl)-4-(trifluoromethyl)nicotinamide
CID 2726832
N-(3-ethoxyphenyl)-4-(trifluoromethyl)nicotinamide
CID 2726853
N-phenyl-2-(4-{(E)-[2-(pyridin-3-ylcarbonyl)hydrazinylidene]methyl}phenoxy)acetamide
CID 9563814
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(pyridin-2-ylmethyl)benzamide
CID 2092582
Nicotinic acid (4-ethoxy-phenylcarbamoyl)-methyl ester
CID 649387
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 728102
N-[4-(4-Bromo-benzoylamino)-2,5-dimethoxy-phenyl]-nicotinamide
CID 1428093

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide (CID 1132697) is N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide is O=C(COc1cccc(NC(=O)c2cccnc2)c1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide?
The InChIKey is BEUBFRXHWOSXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3/c21-15-6-8-16(9-7-15)23-19(25)13-27-18-5-1-4-17(11-18)24-20(26)14-3-2-10-22-12-14/h1-12H,13H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide?
N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide has a molecular weight of 426.27 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1132697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).