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

C24H22ClN5O3S — CID 118665120

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(C)(=O)=O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H22ClN5O3S/c1-14-17(3-4-22(26)30-14)12-29-24(31)16-5-6-27-20(11-16)8-15-7-18-10-19(25)13-28-23(18)21(9-15)34(2,32)33/h3-7,9-11,13H,8,12H2,1-2H3,(H2,26,30)(H,29,31)
InChIKeyDAYVOWICNMKAHH-UHFFFAOYSA-N
MW495.99 g/mol
LogP3.49
Rot. Bonds6

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

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665120) has the molecular formula C24H22ClN5O3S and a molecular weight of 495.99 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID118665120
Molecular FormulaC24H22ClN5O3S
Molecular Weight495.99 g/mol
Exact Mass495.11
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(C)(=O)=O)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H22ClN5O3S/c1-14-17(3-4-22(26)30-14)12-29-24(31)16-5-6-27-20(11-16)8-15-7-18-10-19(25)13-28-23(18)21(9-15)34(2,32)33/h3-7,9-11,13H,8,12H2,1-2H3,(H2,26,30)(H,29,31)
InChIKeyDAYVOWICNMKAHH-UHFFFAOYSA-N
XLogP3.49
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 53.49
H-Bond Donors ≤ 52
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-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665120) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(S(C)(=O)=O)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is DAYVOWICNMKAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3S/c1-14-17(3-4-22(26)30-14)12-29-24(31)16-5-6-27-20(11-16)8-15-7-18-10-19(25)13-28-23(18)21(9-15)34(2,32)33/h3-7,9-11,13H,8,12H2,1-2H3,(H2,26,30)(H,29,31).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 495.99 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 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-methylsulfonylquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).