N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide

C23H18ClN3O3S — CID 171501824

IUPACN-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccccc1N(Cc1ccc2ccc(Cl)nc2c1)C(=O)c1ccccn1
InChIInChI=1S/C23H18ClN3O3S/c1-31(29,30)21-8-3-2-7-20(21)27(23(28)18-6-4-5-13-25-18)15-16-9-10-17-11-12-22(24)26-19(17)14-16/h2-14H,15H2,1H3
InChIKeyYLUVQLDYJJMQEE-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.53
Rot. Bonds5

About N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide

N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide (PubChem CID 171501824) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
PubChem CID171501824
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC NameN-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccccc1N(Cc1ccc2ccc(Cl)nc2c1)C(=O)c1ccccn1
InChIInChI=1S/C23H18ClN3O3S/c1-31(29,30)21-8-3-2-7-20(21)27(23(28)18-6-4-5-13-25-18)15-16-9-10-17-11-12-22(24)26-19(17)14-16/h2-14H,15H2,1H3
InChIKeyYLUVQLDYJJMQEE-UHFFFAOYSA-N
XLogP4.53
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide
CID 171501338
N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-2-methylpyrimidine-5-carboxamide
CID 171502168
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
CID 171502111
N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide
CID 171501804
7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide
CID 171502116
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501151
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 171502044
methyl 3-[acetyl-[(2-chloroquinolin-7-yl)methyl]amino]pyridine-2-carboxylate
CID 171502149
N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171502057
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)-2-pyrimidin-2-ylacetamide
CID 171501412
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 171501060
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide
CID 171501575

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide (CID 171501824) is N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide is CS(=O)(=O)c1ccccc1N(Cc1ccc2ccc(Cl)nc2c1)C(=O)c1ccccn1.
What is the InChIKey of N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide?
The InChIKey is YLUVQLDYJJMQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c1-31(29,30)21-8-3-2-7-20(21)27(23(28)18-6-4-5-13-25-18)15-16-9-10-17-11-12-22(24)26-19(17)14-16/h2-14H,15H2,1H3.
What are the key properties of N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide?
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide has a molecular weight of 451.94 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 171501824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).