[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

C14H17N3O2 — CID 119634678

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCCC3CN)cc2n1
InChIInChI=1S/C14H17N3O2/c1-9-4-5-12-11(16-9)7-13(19-12)14(18)17-6-2-3-10(17)8-15/h4-5,7,10H,2-3,6,8,15H2,1H3
InChIKeyFMWIHMVVRLDNEA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.70
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (PubChem CID 119634678) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
PubChem CID119634678
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCCC3CN)cc2n1
InChIInChI=1S/C14H17N3O2/c1-9-4-5-12-11(16-9)7-13(19-12)14(18)17-6-2-3-10(17)8-15/h4-5,7,10H,2-3,6,8,15H2,1H3
InChIKeyFMWIHMVVRLDNEA-UHFFFAOYSA-N
XLogP1.70
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 119469805
N-ethyl-2-[1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperidin-2-yl]acetamide
CID 146085668
(5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603468
[2-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119631264
[2-(aminomethyl)azepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 116639875
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124700748
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124702462
(5-methylfuro[3,2-b]pyridin-2-yl)-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 138996158
[4-(methylamino)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119564041
(5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473639
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 66261699
3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one
CID 128862882

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (CID 119634678) is [2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is Cc1ccc2oc(C(=O)N3CCCC3CN)cc2n1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The InChIKey is FMWIHMVVRLDNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-4-5-12-11(16-9)7-13(19-12)14(18)17-6-2-3-10(17)8-15/h4-5,7,10H,2-3,6,8,15H2,1H3.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is sourced from PubChem (CID 119634678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).