N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine

C13H15N3O3S — CID 103347471

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCOc1cccc(CNc2ccc(S(C)(=O)=O)nc2)n1
InChIInChI=1S/C13H15N3O3S/c1-19-12-5-3-4-11(16-12)9-14-10-6-7-13(15-8-10)20(2,17)18/h3-8,14H,9H2,1-2H3
InChIKeyPRZFCRWGYJYCCB-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.50
Rot. Bonds5

About N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine

N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine (PubChem CID 103347471) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine
PubChem CID103347471
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCOc1cccc(CNc2ccc(S(C)(=O)=O)nc2)n1
InChIInChI=1S/C13H15N3O3S/c1-19-12-5-3-4-11(16-12)9-14-10-6-7-13(15-8-10)20(2,17)18/h3-8,14H,9H2,1-2H3
InChIKeyPRZFCRWGYJYCCB-UHFFFAOYSA-N
XLogP1.50
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methoxyethoxy)-N-[(6-methoxy-2-pyridinyl)methyl]pyridin-3-amine
CID 103347504
[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide
CID 103347632
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65026028
2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide
CID 103347536
N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-4-amine
CID 79769857
2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 103347490
N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 63668057
N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675273
2,6-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63986273
3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347663
N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine (CID 103347471) is N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine is COc1cccc(CNc2ccc(S(C)(=O)=O)nc2)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine?
The InChIKey is PRZFCRWGYJYCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-19-12-5-3-4-11(16-12)9-14-10-6-7-13(15-8-10)20(2,17)18/h3-8,14H,9H2,1-2H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine?
N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine has a molecular weight of 293.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 103347471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).