2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide

C17H17ClN2O — CID 20872301

IUPAC2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)c(Cl)n1
InChIInChI=1S/C17H17ClN2O/c1-11-6-9-15(16(18)19-11)17(21)20-14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14H,7-8,10H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyWLYADQKDROFVMS-CQSZACIVSA-N
MW300.79 g/mol
LogP3.33
Rot. Bonds2

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

2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide (PubChem CID 20872301) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
PubChem CID20872301
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)c(Cl)n1
InChIInChI=1S/C17H17ClN2O/c1-11-6-9-15(16(18)19-11)17(21)20-14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14H,7-8,10H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyWLYADQKDROFVMS-CQSZACIVSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.33
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 2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide (CID 20872301) is 2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
The InChIKey is WLYADQKDROFVMS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-6-9-15(16(18)19-11)17(21)20-14-8-7-12-4-2-3-5-13(12)10-14/h2-6,9,14H,7-8,10H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide?
2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 20872301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).