3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide

C16H10Cl2N2O — CID 26719883

IUPAC3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2N2O/c17-13-7-8-14(18)20-15(13)16(21)19-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,19,21)
InChIKeyCPGZCGUALOQZTP-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.79
Rot. Bonds2

About 3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide

3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide (PubChem CID 26719883) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is 3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
PubChem CID26719883
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2N2O/c17-13-7-8-14(18)20-15(13)16(21)19-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,19,21)
InChIKeyCPGZCGUALOQZTP-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
3,6-dichloro-N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 26783735
3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 26719813
3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 60912008
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
4-[(3,6-dichloropyridine-2-carbonyl)amino]benzoic acid
CID 45426688
3,6-dichloro-N-quinolin-2-ylpyridine-2-carboxamide
CID 47019756
3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 26408797
N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide
CID 79421839
3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
CID 26718791
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide (CID 26719883) is 3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide is O=C(Nc1ccc2ccccc2c1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide?
The InChIKey is CPGZCGUALOQZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-13-7-8-14(18)20-15(13)16(21)19-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,19,21).
What are the key properties of 3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide?
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide has a molecular weight of 317.18 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 26719883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).