N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C17H24N4O2 — CID 131948618

IUPACN-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C17H24N4O2/c1-2-14(11-21-10-7-18-13-21)19-17(22)16-6-5-15(23-16)12-20-8-3-4-9-20/h5-7,10,13-14H,2-4,8-9,11-12H2,1H3,(H,19,22)
InChIKeyFPBHZBJZRAANEZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.28
Rot. Bonds7

About N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 131948618) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID131948618
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C17H24N4O2/c1-2-14(11-21-10-7-18-13-21)19-17(22)16-6-5-15(23-16)12-20-8-3-4-9-20/h5-7,10,13-14H,2-4,8-9,11-12H2,1H3,(H,19,22)
InChIKeyFPBHZBJZRAANEZ-UHFFFAOYSA-N
XLogP2.28
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 131948618) is N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CCC(Cn1ccnc1)NC(=O)c1ccc(CN2CCCC2)o1.
What is the InChIKey of N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is FPBHZBJZRAANEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-14(11-21-10-7-18-13-21)19-17(22)16-6-5-15(23-16)12-20-8-3-4-9-20/h5-7,10,13-14H,2-4,8-9,11-12H2,1H3,(H,19,22).
What are the key properties of N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 131948618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).