N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide

C23H21ClN6O3S — CID 126501516

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(N)(=O)=O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C23H21ClN6O3S/c1-13-16(2-3-21(25)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(24)12-28-22(17)20(8-14)34(26,32)33/h2-6,8-10,12H,7,11H2,1H3,(H2,25,30)(H,29,31)(H2,26,32,33)
InChIKeyYSBHUSXJGVVFNU-UHFFFAOYSA-N
MW496.98 g/mol
LogP2.74
Rot. Bonds6

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 126501516) has the molecular formula C23H21ClN6O3S and a molecular weight of 496.98 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID126501516
Molecular FormulaC23H21ClN6O3S
Molecular Weight496.98 g/mol
Exact Mass496.11
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(N)(=O)=O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C23H21ClN6O3S/c1-13-16(2-3-21(25)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(24)12-28-22(17)20(8-14)34(26,32)33/h2-6,8-10,12H,7,11H2,1H3,(H2,25,30)(H,29,31)(H2,26,32,33)
InChIKeyYSBHUSXJGVVFNU-UHFFFAOYSA-N
XLogP2.74
TPSA153.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 126501516) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(N)(=O)=O)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is YSBHUSXJGVVFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3S/c1-13-16(2-3-21(25)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(24)12-28-22(17)20(8-14)34(26,32)33/h2-6,8-10,12H,7,11H2,1H3,(H2,25,30)(H,29,31)(H2,26,32,33).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 496.98 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-sulfamoylquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 126501516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).