N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide

C18H18N4O2S — CID 71038038

IUPACN-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCc1ccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H18N4O2S/c1-12-3-4-14(10-20-12)17-9-15(11-21-18(17)19)13-5-7-16(8-6-13)22-25(2,23)24/h3-11,22H,1-2H3,(H2,19,21)
InChIKeyDVFLKPVDOSXEAY-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.07
Rot. Bonds4

About N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide

N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide (PubChem CID 71038038) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide
PubChem CID71038038
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCc1ccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H18N4O2S/c1-12-3-4-14(10-20-12)17-9-15(11-21-18(17)19)13-5-7-16(8-6-13)22-25(2,23)24/h3-11,22H,1-2H3,(H2,19,21)
InChIKeyDVFLKPVDOSXEAY-UHFFFAOYSA-N
XLogP3.07
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide
CID 126674978
4-[3-[4-(methanesulfonamido)phenyl]-7H-cyclopenta[b]pyridin-5-yl]benzamide
CID 146685867
4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide
CID 53311138
4-[6-amino-5-(6-methylsulfonyl-3-pyridinyl)-3-pyridinyl]benzenesulfinic acid
CID 118312131
N-[4-[6-amino-5-[1-(2-chloro-3,6-difluorophenyl)ethoxy]-3-pyridinyl]phenyl]methanesulfonamide
CID 21111006
3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217
4-[4-(methanesulfonamido)phenyl]benzenesulfonic acid
CID 90200210
3-[6-(8-methylquinolin-5-yl)-3-pyridinyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 71594255
3-(2,1,3-benzoxadiazol-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311565
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 110735545
N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide
CID 39814969
3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 155561849

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide (CID 71038038) is N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide is Cc1ccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3)cnc2N)cn1.
What is the InChIKey of N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is DVFLKPVDOSXEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-3-4-14(10-20-12)17-9-15(11-21-18(17)19)13-5-7-16(8-6-13)22-25(2,23)24/h3-11,22H,1-2H3,(H2,19,21).
What are the key properties of N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide?
N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 71038038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).