2-bromo-N-quinolin-5-ylpyridine-4-carboxamide

C15H10BrN3O — CID 103751909

IUPAC2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1ccnc(Br)c1
InChIInChI=1S/C15H10BrN3O/c16-14-9-10(6-8-18-14)15(20)19-13-5-1-4-12-11(13)3-2-7-17-12/h1-9H,(H,19,20)
InChIKeyZEWIUJPNBPAGTD-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.64
Rot. Bonds2

About 2-bromo-N-quinolin-5-ylpyridine-4-carboxamide

2-bromo-N-quinolin-5-ylpyridine-4-carboxamide (PubChem CID 103751909) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-bromo-N-quinolin-5-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
PubChem CID103751909
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1ccnc(Br)c1
InChIInChI=1S/C15H10BrN3O/c16-14-9-10(6-8-18-14)15(20)19-13-5-1-4-12-11(13)3-2-7-17-12/h1-9H,(H,19,20)
InChIKeyZEWIUJPNBPAGTD-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
CID 73213052
CID 73213052
2-bromo-5-methyl-N-quinolin-5-ylbenzamide
CID 80955712
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
N-quinolin-5-yl-1H-pyrazole-5-carboxamide
CID 47177311
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103752146

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-quinolin-5-ylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-quinolin-5-ylpyridine-4-carboxamide (CID 103751909) is 2-bromo-N-quinolin-5-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-quinolin-5-ylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-quinolin-5-ylpyridine-4-carboxamide is O=C(Nc1cccc2ncccc12)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-quinolin-5-ylpyridine-4-carboxamide?
The InChIKey is ZEWIUJPNBPAGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-14-9-10(6-8-18-14)15(20)19-13-5-1-4-12-11(13)3-2-7-17-12/h1-9H,(H,19,20).
What are the key properties of 2-bromo-N-quinolin-5-ylpyridine-4-carboxamide?
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-quinolin-5-ylpyridine-4-carboxamide is sourced from PubChem (CID 103751909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).