N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine

C17H18N2OS — CID 95857604

IUPACN-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1ccc(CN(Cc2cccnc2)Cc2cccs2)o1
InChIInChI=1S/C17H18N2OS/c1-14-6-7-16(20-14)12-19(13-17-5-3-9-21-17)11-15-4-2-8-18-10-15/h2-10H,11-13H2,1H3
InChIKeyUGKFTCXWAWWEMZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.25
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine

N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 95857604) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine
PubChem CID95857604
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1ccc(CN(Cc2cccnc2)Cc2cccs2)o1
InChIInChI=1S/C17H18N2OS/c1-14-6-7-16(20-14)12-19(13-17-5-3-9-21-17)11-15-4-2-8-18-10-15/h2-10H,11-13H2,1H3
InChIKeyUGKFTCXWAWWEMZ-UHFFFAOYSA-N
XLogP4.25
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine (CID 95857604) is N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine is Cc1ccc(CN(Cc2cccnc2)Cc2cccs2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is UGKFTCXWAWWEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-14-6-7-16(20-14)12-19(13-17-5-3-9-21-17)11-15-4-2-8-18-10-15/h2-10H,11-13H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine?
N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 298.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 95857604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).