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

C18H18N4O3S — CID 71461081

IUPACN-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H18N4O3S/c1-25-17-8-5-13(10-20-17)16-9-14(11-21-18(16)19)12-3-6-15(7-4-12)22-26(2,23)24/h3-11,22H,1-2H3,(H2,19,21)
InChIKeyDGEATJGDNHUNIL-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.77
Rot. Bonds5

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

N-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide (PubChem CID 71461081) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide
PubChem CID71461081
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H18N4O3S/c1-25-17-8-5-13(10-20-17)16-9-14(11-21-18(16)19)12-3-6-15(7-4-12)22-26(2,23)24/h3-11,22H,1-2H3,(H2,19,21)
InChIKeyDGEATJGDNHUNIL-UHFFFAOYSA-N
XLogP2.77
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide (CID 71461081) is N-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide is COc1ccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3)cnc2N)cn1.
What is the InChIKey of N-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is DGEATJGDNHUNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-25-17-8-5-13(10-20-17)16-9-14(11-21-18(16)19)12-3-6-15(7-4-12)22-26(2,23)24/h3-11,22H,1-2H3,(H2,19,21).
What are the key properties of N-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide?
N-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 71461081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).