(3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide

C15H20N4O3 — CID 94409683

IUPAC(3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)CN1CC[C@H](C(N)=O)C1
InChIInChI=1S/C15H20N4O3/c16-5-2-6-19(10-13-3-1-8-22-13)14(20)11-18-7-4-12(9-18)15(17)21/h1,3,8,12H,2,4,6-7,9-11H2,(H2,17,21)/t12-/m0/s1
InChIKeyIFJADSFMWVLOQM-LBPRGKRZSA-N
MW304.35 g/mol
LogP0.33
Rot. Bonds7

About (3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide

(3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide (PubChem CID 94409683) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide
PubChem CID94409683
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)CN1CC[C@H](C(N)=O)C1
InChIInChI=1S/C15H20N4O3/c16-5-2-6-19(10-13-3-1-8-22-13)14(20)11-18-7-4-12(9-18)15(17)21/h1,3,8,12H,2,4,6-7,9-11H2,(H2,17,21)/t12-/m0/s1
InChIKeyIFJADSFMWVLOQM-LBPRGKRZSA-N
XLogP0.33
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8616057
N-(2-cyanoethyl)-2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 39973526
4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 79512015
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 166434939
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 64823217
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 60519887
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 38846442
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide
CID 66236653

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide (CID 94409683) is (3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide is N#CCCN(Cc1ccco1)C(=O)CN1CC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide?
The InChIKey is IFJADSFMWVLOQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O3/c16-5-2-6-19(10-13-3-1-8-22-13)14(20)11-18-7-4-12(9-18)15(17)21/h1,3,8,12H,2,4,6-7,9-11H2,(H2,17,21)/t12-/m0/s1.
What are the key properties of (3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide?
(3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94409683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).