N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine

C20H22N2O2S — CID 91761200

IUPACN-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESc1coc(CN(Cc2ccncc2)Cc2ccc(C3CCCO3)s2)c1
InChIInChI=1S/C20H22N2O2S/c1-3-17(23-11-1)14-22(13-16-7-9-21-10-8-16)15-18-5-6-20(25-18)19-4-2-12-24-19/h1,3,5-11,19H,2,4,12-15H2
InChIKeyUAYSDOCWGZYUKS-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.79
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine

N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine (PubChem CID 91761200) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine
PubChem CID91761200
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC NameN-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine
SMILESc1coc(CN(Cc2ccncc2)Cc2ccc(C3CCCO3)s2)c1
InChIInChI=1S/C20H22N2O2S/c1-3-17(23-11-1)14-22(13-16-7-9-21-10-8-16)15-18-5-6-20(25-18)19-4-2-12-24-19/h1,3,5-11,19H,2,4,12-15H2
InChIKeyUAYSDOCWGZYUKS-UHFFFAOYSA-N
XLogP4.79
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
N-methyl-1-[5-(oxan-2-yl)thiophen-2-yl]-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 56889201
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 47537063
2-[4-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]benzonitrile
CID 60585190
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
N-[[4-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-(furan-2-ylmethyl)methanamine
CID 142934657
N-(3-acetylphenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 60585132
N-methyl-1-[5-(oxolan-2-yl)thiophen-2-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 77079897
N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide
CID 47537148
1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 86849360

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine (CID 91761200) is N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine is c1coc(CN(Cc2ccncc2)Cc2ccc(C3CCCO3)s2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is UAYSDOCWGZYUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-17(23-11-1)14-22(13-16-7-9-21-10-8-16)15-18-5-6-20(25-18)19-4-2-12-24-19/h1,3,5-11,19H,2,4,12-15H2.
What are the key properties of N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine?
N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 354.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 91761200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).