(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

C18H19N3O2 — CID 38774108

IUPAC(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC[C@H]2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H19N3O2/c19-11-14-5-7-15(8-6-14)13-21-9-1-4-17(21)18(22)20-12-16-3-2-10-23-16/h2-3,5-8,10,17H,1,4,9,12-13H2,(H,20,22)/t17-/m0/s1
InChIKeyDNKSDNQLWDJVIT-KRWDZBQOSA-N
MW309.37 g/mol
LogP2.43
Rot. Bonds5

About (2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 38774108) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID38774108
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(CN2CCC[C@H]2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H19N3O2/c19-11-14-5-7-15(8-6-14)13-21-9-1-4-17(21)18(22)20-12-16-3-2-10-23-16/h2-3,5-8,10,17H,1,4,9,12-13H2,(H,20,22)/t17-/m0/s1
InChIKeyDNKSDNQLWDJVIT-KRWDZBQOSA-N
XLogP2.43
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 99636817
1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 154838099
N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
CID 111123272
N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 42885954
1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805093
1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 75438534
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78857113
1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78857324
(2S)-N-(furan-2-ylmethyl)-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 95291715
N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 55579042

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 38774108) is (2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is N#Cc1ccc(CN2CCC[C@H]2C(=O)NCc2ccco2)cc1.
What is the InChIKey of (2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is DNKSDNQLWDJVIT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-11-14-5-7-15(8-6-14)13-21-9-1-4-17(21)18(22)20-12-16-3-2-10-23-16/h2-3,5-8,10,17H,1,4,9,12-13H2,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 38774108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).