5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile

C16H17N3O — CID 115743993

IUPAC5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2cccc(N3CCCC3)c2)o1
InChIInChI=1S/C16H17N3O/c17-11-15-6-7-16(20-15)12-18-13-4-3-5-14(10-13)19-8-1-2-9-19/h3-7,10,18H,1-2,8-9,12H2
InChIKeyUJSXGSMFUYKZQV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.36
Rot. Bonds4

About 5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile

5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile (PubChem CID 115743993) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
PubChem CID115743993
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2cccc(N3CCCC3)c2)o1
InChIInChI=1S/C16H17N3O/c17-11-15-6-7-16(20-15)12-18-13-4-3-5-14(10-13)19-8-1-2-9-19/h3-7,10,18H,1-2,8-9,12H2
InChIKeyUJSXGSMFUYKZQV-UHFFFAOYSA-N
XLogP3.36
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115652504
5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115743185
5-[(3-fluoro-4-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
CID 115743234
4-[(3-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 60942190
N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide
CID 115652476
N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline
CID 63204829
5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
CID 115692616
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943060
N-[(2-methylpyrazol-3-yl)methyl]-3-pyrrolidin-1-ylaniline
CID 54864487
5-[(4-bromoanilino)methyl]furan-2-carbonitrile
CID 115909240
5-[(3-chloro-4-hydroxyanilino)methyl]furan-2-carbonitrile
CID 107678453

Frequently Asked Questions

What is the IUPAC name of 5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile (CID 115743993) is 5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile is N#Cc1ccc(CNc2cccc(N3CCCC3)c2)o1.
What is the InChIKey of 5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile?
The InChIKey is UJSXGSMFUYKZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-11-15-6-7-16(20-15)12-18-13-4-3-5-14(10-13)19-8-1-2-9-19/h3-7,10,18H,1-2,8-9,12H2.
What are the key properties of 5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile?
5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115743993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).