6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide

C16H15ClN2O — CID 22318688

IUPAC6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)c1ccc(Cl)nc1
InChIInChI=1S/C16H15ClN2O/c17-15-8-6-13(10-18-15)16(20)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H,19,20)
InChIKeyMXTBOUSLBHKHEW-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.02
Rot. Bonds2

About 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide

6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide (PubChem CID 22318688) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
PubChem CID22318688
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)c1ccc(Cl)nc1
InChIInChI=1S/C16H15ClN2O/c17-15-8-6-13(10-18-15)16(20)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H,19,20)
InChIKeyMXTBOUSLBHKHEW-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide (CID 22318688) is 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide is O=C(NC1CCc2ccccc2C1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide?
The InChIKey is MXTBOUSLBHKHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-15-8-6-13(10-18-15)16(20)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H,19,20).
What are the key properties of 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide?
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 22318688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).