2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide

C15H9Cl2N3O — CID 2782162

IUPAC2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C15H9Cl2N3O/c16-13-7-9(8-14(17)20-13)15(21)19-12-5-1-4-11-10(12)3-2-6-18-11/h1-8H,(H,19,21)
InChIKeyDHQCRFPRYLCAPG-UHFFFAOYSA-N
MW318.16 g/mol
LogP4.19
Rot. Bonds2

About 2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide

2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide (PubChem CID 2782162) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is 2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
PubChem CID2782162
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C15H9Cl2N3O/c16-13-7-9(8-14(17)20-13)15(21)19-12-5-1-4-11-10(12)3-2-6-18-11/h1-8H,(H,19,21)
InChIKeyDHQCRFPRYLCAPG-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.19
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
3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 17396837
6-amino-5-chloro-N-quinolin-5-ylpyridine-3-carboxamide
CID 62151637
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
CID 73213052
CID 73213052
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
2-chloro-N-quinolin-5-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 167986247
2-chloro-N-quinolin-5-ylfuran-3-carboxamide
CID 106685203
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide (CID 2782162) is 2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide is O=C(Nc1cccc2ncccc12)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide?
The InChIKey is DHQCRFPRYLCAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-13-7-9(8-14(17)20-13)15(21)19-12-5-1-4-11-10(12)3-2-6-18-11/h1-8H,(H,19,21).
What are the key properties of 2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide?
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide has a molecular weight of 318.16 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide is sourced from PubChem (CID 2782162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).