(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C16H17N3O3 — CID 94021658

IUPAC(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C16H17N3O3/c20-15-8-12(16(21)18-9-14-5-3-7-22-14)10-19(15)11-13-4-1-2-6-17-13/h1-7,12H,8-11H2,(H,18,21)/t12-/m0/s1
InChIKeySRDIODCZYPSFFO-LBPRGKRZSA-N
MW299.33 g/mol
LogP1.34
Rot. Bonds5

About (3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 94021658) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID94021658
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C16H17N3O3/c20-15-8-12(16(21)18-9-14-5-3-7-22-14)10-19(15)11-13-4-1-2-6-17-13/h1-7,12H,8-11H2,(H,18,21)/t12-/m0/s1
InChIKeySRDIODCZYPSFFO-LBPRGKRZSA-N
XLogP1.34
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119136589
(4S)-4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 51940683
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72914762
(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125432
(3R)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97278033
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72910387
(3S)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97279115
(3R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97279114
(3S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97202222
(3aR,6R,7aR)-N-(furan-2-ylmethyl)-4-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97362955
(2R)-2-benzyl-3-[[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 125153798
(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 94021658) is (3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccco1)[C@H]1CC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of (3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is SRDIODCZYPSFFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15-8-12(16(21)18-9-14-5-3-7-22-14)10-19(15)11-13-4-1-2-6-17-13/h1-7,12H,8-11H2,(H,18,21)/t12-/m0/s1.
What are the key properties of (3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94021658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).