N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine

C17H23N3S — CID 62347146

IUPACN-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
SMILESCCc1ccc(CNc2ccc(N3CCCCC3)nc2)s1
InChIInChI=1S/C17H23N3S/c1-2-15-7-8-16(21-15)13-18-14-6-9-17(19-12-14)20-10-4-3-5-11-20/h6-9,12,18H,2-5,10-11,13H2,1H3
InChIKeyOTKZULXYINBRAV-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.31
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine

N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine (PubChem CID 62347146) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
PubChem CID62347146
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
SMILESCCc1ccc(CNc2ccc(N3CCCCC3)nc2)s1
InChIInChI=1S/C17H23N3S/c1-2-15-7-8-16(21-15)13-18-14-6-9-17(19-12-14)20-10-4-3-5-11-20/h6-9,12,18H,2-5,10-11,13H2,1H3
InChIKeyOTKZULXYINBRAV-UHFFFAOYSA-N
XLogP4.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 102832400
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111957951
N-[(5-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724710
N-[(2-methylpyrazol-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690355
N-[(5-ethylthiophen-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103934195
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
N-[(1-ethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 103823647
(6-piperidin-1-yl-3-pyridinyl)hydrazine
CID 55281305
N-(2-methylbutyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689479
N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690352
N-(cyclopropylmethyl)-6-piperidin-1-ylpyridin-3-amine
CID 43690356

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine (CID 62347146) is N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine is CCc1ccc(CNc2ccc(N3CCCCC3)nc2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine?
The InChIKey is OTKZULXYINBRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-2-15-7-8-16(21-15)13-18-14-6-9-17(19-12-14)20-10-4-3-5-11-20/h6-9,12,18H,2-5,10-11,13H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine?
N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine has a molecular weight of 301.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-6-piperidin-1-ylpyridin-3-amine is sourced from PubChem (CID 62347146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).