(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide

C20H24N4O3 — CID 37053630

IUPAC(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C20H24N4O3/c25-19-11-16(13-24(19)14-17-4-3-9-27-17)20(26)22-12-15-5-6-21-18(10-15)23-7-1-2-8-23/h3-6,9-10,16H,1-2,7-8,11-14H2,(H,22,26)/t16-/m1/s1
InChIKeyVHZZECPNKZNJOG-MRXNPFEDSA-N
MW368.44 g/mol
LogP1.94
Rot. Bonds6

About (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 37053630) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
PubChem CID37053630
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C20H24N4O3/c25-19-11-16(13-24(19)14-17-4-3-9-27-17)20(26)22-12-15-5-6-21-18(10-15)23-7-1-2-8-23/h3-6,9-10,16H,1-2,7-8,11-14H2,(H,22,26)/t16-/m1/s1
InChIKeyVHZZECPNKZNJOG-MRXNPFEDSA-N
XLogP1.94
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55679309
1-(2-methoxyethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 51077316
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 51237853
1-(furan-2-ylmethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 42881863
(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94021658
1-(furan-2-ylmethyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55957406
(3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 95237254
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
(3R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 36885410

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide (CID 37053630) is (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccnc(N2CCCC2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is VHZZECPNKZNJOG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19-11-16(13-24(19)14-17-4-3-9-27-17)20(26)22-12-15-5-6-21-18(10-15)23-7-1-2-8-23/h3-6,9-10,16H,1-2,7-8,11-14H2,(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 37053630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).