N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine

C15H19N3OS — CID 43724746

IUPACN-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
SMILESCc1ccsc1CNc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H19N3OS/c1-12-4-9-20-14(12)11-16-13-2-3-15(17-10-13)18-5-7-19-8-6-18/h2-4,9-10,16H,5-8,11H2,1H3
InChIKeyAKXDRVPPXLKHNP-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.90
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine

N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine (PubChem CID 43724746) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
PubChem CID43724746
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
SMILESCc1ccsc1CNc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H19N3OS/c1-12-4-9-20-14(12)11-16-13-2-3-15(17-10-13)18-5-7-19-8-6-18/h2-4,9-10,16H,5-8,11H2,1H3
InChIKeyAKXDRVPPXLKHNP-UHFFFAOYSA-N
XLogP2.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine (CID 43724746) is N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine is Cc1ccsc1CNc1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
The InChIKey is AKXDRVPPXLKHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-12-4-9-20-14(12)11-16-13-2-3-15(17-10-13)18-5-7-19-8-6-18/h2-4,9-10,16H,5-8,11H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine has a molecular weight of 289.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 43724746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).