N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide

C20H15BrN4O3 — CID 78863694

IUPACN-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(NNC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN4O3/c21-16-8-6-13(7-9-16)19(27)24-25-20(28)14-3-1-5-17(11-14)23-18(26)15-4-2-10-22-12-15/h1-12H,(H,23,26)(H,24,27)(H,25,28)
InChIKeyQFWBHKCHZPAEHN-UHFFFAOYSA-N
MW439.27 g/mol
LogP3.17
Rot. Bonds4

About N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 78863694) has the molecular formula C20H15BrN4O3 and a molecular weight of 439.27 g/mol. Its IUPAC name is N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID78863694
Molecular FormulaC20H15BrN4O3
Molecular Weight439.27 g/mol
Exact Mass438.03
IUPAC NameN-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(NNC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN4O3/c21-16-8-6-13(7-9-16)19(27)24-25-20(28)14-3-1-5-17(11-14)23-18(26)15-4-2-10-22-12-15/h1-12H,(H,23,26)(H,24,27)(H,25,28)
InChIKeyQFWBHKCHZPAEHN-UHFFFAOYSA-N
XLogP3.17
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 55787295
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 35151089
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide
CID 58858303
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 46409815
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide (CID 78863694) is N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide is O=C(NNC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is QFWBHKCHZPAEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3/c21-16-8-6-13(7-9-16)19(27)24-25-20(28)14-3-1-5-17(11-14)23-18(26)15-4-2-10-22-12-15/h1-12H,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 439.27 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 78863694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).