N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide

C26H21ClFN3O3S — CID 171502044

IUPACN-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1N(Cc1ccc2cc(F)c(Cl)nc2c1)C(=O)c1ccc(C2CC2)nc1
InChIInChI=1S/C26H21ClFN3O3S/c1-35(33,34)24-5-3-2-4-23(24)31(26(32)19-10-11-21(29-14-19)17-8-9-17)15-16-6-7-18-13-20(28)25(27)30-22(18)12-16/h2-7,10-14,17H,8-9,15H2,1H3
InChIKeyGBTJPFXGFBITND-UHFFFAOYSA-N
MW509.99 g/mol
LogP5.55
Rot. Bonds6

About N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide

N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 171502044) has the molecular formula C26H21ClFN3O3S and a molecular weight of 509.99 g/mol. Its IUPAC name is N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID171502044
Molecular FormulaC26H21ClFN3O3S
Molecular Weight509.99 g/mol
Exact Mass509.10
IUPAC NameN-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1N(Cc1ccc2cc(F)c(Cl)nc2c1)C(=O)c1ccc(C2CC2)nc1
InChIInChI=1S/C26H21ClFN3O3S/c1-35(33,34)24-5-3-2-4-23(24)31(26(32)19-10-11-21(29-14-19)17-8-9-17)15-16-6-7-18-13-20(28)25(27)30-22(18)12-16/h2-7,10-14,17H,8-9,15H2,1H3
InChIKeyGBTJPFXGFBITND-UHFFFAOYSA-N
XLogP5.55
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.99
LogP ≤ 55.55
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-chloro-3-methylquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 171501529
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)-2-pyrimidin-2-ylacetamide
CID 171501412
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
CID 171501824
N-[(2-amino-3-chloroquinolin-7-yl)methyl]-2-cyclopropyl-N-(2-methylsulfonyl-3-pyridinyl)pyrimidine-5-carboxamide
CID 171501220
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-methylsulfonylphenyl)oxetane-3-carboxamide
CID 171501338
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501151
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 171501728
7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide
CID 171502116
N-[(2-amino-3-chloroquinolin-7-yl)methyl]-2-cyclopropyl-N-(2-methylsulfonyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 171501621
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-N-(4,4-difluoro-1,1-dioxo-2,3-dihydrothiochromen-8-yl)-5-methylpyrazine-2-carboxamide
CID 171502191
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(5-methyl-2-methylsulfonyl-3-pyridinyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 171501305

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide (CID 171502044) is N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide is CS(=O)(=O)c1ccccc1N(Cc1ccc2cc(F)c(Cl)nc2c1)C(=O)c1ccc(C2CC2)nc1.
What is the InChIKey of N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is GBTJPFXGFBITND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN3O3S/c1-35(33,34)24-5-3-2-4-23(24)31(26(32)19-10-11-21(29-14-19)17-8-9-17)15-16-6-7-18-13-20(28)25(27)30-22(18)12-16/h2-7,10-14,17H,8-9,15H2,1H3.
What are the key properties of N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide?
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 509.99 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 171502044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).