[1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea

C13H16N4O3 — CID 166398464

IUPAC[1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea
SMILESCc1cc2[nH]c(C(=O)N3CCC(NC(N)=O)C3)cc2o1
InChIInChI=1S/C13H16N4O3/c1-7-4-9-11(20-7)5-10(16-9)12(18)17-3-2-8(6-17)15-13(14)19/h4-5,8,16H,2-3,6H2,1H3,(H3,14,15,19)
InChIKeyHPEPUCVVUWYHPU-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.95
Rot. Bonds2

About [1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea

[1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea (PubChem CID 166398464) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is [1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name[1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea
PubChem CID166398464
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name[1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea
SMILESCc1cc2[nH]c(C(=O)N3CCC(NC(N)=O)C3)cc2o1
InChIInChI=1S/C13H16N4O3/c1-7-4-9-11(20-7)5-10(16-9)12(18)17-3-2-8(6-17)15-13(14)19/h4-5,8,16H,2-3,6H2,1H3,(H3,14,15,19)
InChIKeyHPEPUCVVUWYHPU-UHFFFAOYSA-N
XLogP0.95
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 166323550
(2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 154868674
[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 139371705
(5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 70684084
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid
CID 122126682
[(3R)-1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]urea
CID 177272408
4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628768
[(3R)-1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]urea
CID 97249017

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea?
The IUPAC name of [1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea (CID 166398464) is [1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for [1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea?
The canonical SMILES for [1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea is Cc1cc2[nH]c(C(=O)N3CCC(NC(N)=O)C3)cc2o1.
What is the InChIKey of [1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea?
The InChIKey is HPEPUCVVUWYHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-7-4-9-11(20-7)5-10(16-9)12(18)17-3-2-8(6-17)15-13(14)19/h4-5,8,16H,2-3,6H2,1H3,(H3,14,15,19).
What are the key properties of [1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea?
[1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea has a molecular weight of 276.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 166398464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).