N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine

C15H19N3S — CID 43676368

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCc1ccc(CNc2cccnc2N2CCCC2)s1
InChIInChI=1S/C15H19N3S/c1-12-6-7-13(19-12)11-17-14-5-4-8-16-15(14)18-9-2-3-10-18/h4-8,17H,2-3,9-11H2,1H3
InChIKeyXYMDPYUOGQOKLF-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.66
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine

N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine (PubChem CID 43676368) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
PubChem CID43676368
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
SMILESCc1ccc(CNc2cccnc2N2CCCC2)s1
InChIInChI=1S/C15H19N3S/c1-12-6-7-13(19-12)11-17-14-5-4-8-16-15(14)18-9-2-3-10-18/h4-8,17H,2-3,9-11H2,1H3
InChIKeyXYMDPYUOGQOKLF-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 60982261
N-[(5-methylfuran-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676423
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676491
N-(furan-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676420
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 114555031
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687
2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 55060167
N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 66384847
N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 62761986
N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 55113792
N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine
CID 107444893
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine (CID 43676368) is N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine is Cc1ccc(CNc2cccnc2N2CCCC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
The InChIKey is XYMDPYUOGQOKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12-6-7-13(19-12)11-17-14-5-4-8-16-15(14)18-9-2-3-10-18/h4-8,17H,2-3,9-11H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine?
N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine has a molecular weight of 273.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine is sourced from PubChem (CID 43676368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).