(2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide

C15H16N6O2 — CID 99636793

IUPAC(2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CCCN1c1ncnc2nc[nH]c12
InChIInChI=1S/C15H16N6O2/c22-15(16-7-10-3-2-6-23-10)11-4-1-5-21(11)14-12-13(18-8-17-12)19-9-20-14/h2-3,6,8-9,11H,1,4-5,7H2,(H,16,22)(H,17,18,19,20)/t11-/m1/s1
InChIKeyUFXMQHADIBIAII-LLVKDONJSA-N
MW312.33 g/mol
LogP1.23
Rot. Bonds4

About (2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide

(2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide (PubChem CID 99636793) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
PubChem CID99636793
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name(2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CCCN1c1ncnc2nc[nH]c12
InChIInChI=1S/C15H16N6O2/c22-15(16-7-10-3-2-6-23-10)11-4-1-5-21(11)14-12-13(18-8-17-12)19-9-20-14/h2-3,6,8-9,11H,1,4-5,7H2,(H,16,22)(H,17,18,19,20)/t11-/m1/s1
InChIKeyUFXMQHADIBIAII-LLVKDONJSA-N
XLogP1.23
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-1-furo[3,2-c]pyridin-4-ylpyrrolidine-2-carboxamide
CID 99636760
1-(3-fluoro-2-pyridinyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805094
(2R)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 99636768
N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 86805078
(2R)-N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxamide
CID 125142082
N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
CID 91644166
N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CID 3701880
N-(furan-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 86930900
(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 32877863
(2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide
CID 136783558
(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 99636781
(2R)-1-(6-ethoxypyrazin-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 99636784

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide (CID 99636793) is (2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide is O=C(NCc1ccco1)[C@H]1CCCN1c1ncnc2nc[nH]c12.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is UFXMQHADIBIAII-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N6O2/c22-15(16-7-10-3-2-6-23-10)11-4-1-5-21(11)14-12-13(18-8-17-12)19-9-20-14/h2-3,6,8-9,11H,1,4-5,7H2,(H,16,22)(H,17,18,19,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide?
(2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-1-(7H-purin-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 99636793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).