N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine

C17H20N4O — CID 46998655

IUPACN-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESc1cncc(CN(CCCn2ccnc2)Cc2ccoc2)c1
InChIInChI=1S/C17H20N4O/c1-3-16(11-18-5-1)12-21(13-17-4-10-22-14-17)8-2-7-20-9-6-19-15-20/h1,3-6,9-11,14-15H,2,7-8,12-13H2
InChIKeyGFTAVVUIEDFBNX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.96
Rot. Bonds8

About N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine

N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 46998655) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID46998655
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESc1cncc(CN(CCCn2ccnc2)Cc2ccoc2)c1
InChIInChI=1S/C17H20N4O/c1-3-16(11-18-5-1)12-21(13-17-4-10-22-14-17)8-2-7-20-9-6-19-15-20/h1,3-6,9-11,14-15H,2,7-8,12-13H2
InChIKeyGFTAVVUIEDFBNX-UHFFFAOYSA-N
XLogP2.96
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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[benzyl(3-imidazol-1-ylpropyl)amino]methanol;prop-1-yne
CID 142002586
3-(2,6-diethylphenyl)-1-(3-imidazol-1-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea
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CID 91783397
N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-3-ylmethyl)azepane-2-carboxamide
CID 74244457
N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]propan-1-amine
CID 46962079
(5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50965952
3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 77094846
(E)-3-(2-aminopyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)prop-2-enamide;formic acid
CID 154912669
3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine (CID 46998655) is N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine is c1cncc(CN(CCCn2ccnc2)Cc2ccoc2)c1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is GFTAVVUIEDFBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-16(11-18-5-1)12-21(13-17-4-10-22-14-17)8-2-7-20-9-6-19-15-20/h1,3-6,9-11,14-15H,2,7-8,12-13H2.
What are the key properties of N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 296.37 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 46998655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).