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

C14H17N3O2 — CID 119473639

IUPAC(5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCNCC3C)cc2n1
InChIInChI=1S/C14H17N3O2/c1-9-3-4-12-11(16-9)7-13(19-12)14(18)17-6-5-15-8-10(17)2/h3-4,7,10,15H,5-6,8H2,1-2H3
InChIKeyIRXZGURQVWCTCS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.57
Rot. Bonds1

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

(5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 119473639) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone
PubChem CID119473639
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCNCC3C)cc2n1
InChIInChI=1S/C14H17N3O2/c1-9-3-4-12-11(16-9)7-13(19-12)14(18)17-6-5-15-8-10(17)2/h3-4,7,10,15H,5-6,8H2,1-2H3
InChIKeyIRXZGURQVWCTCS-UHFFFAOYSA-N
XLogP1.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5,6-dimethyl-1-benzofuran-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 119470320
[2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 120801821
(5,6-dimethyl-1-benzofuran-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470319
(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704923
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119634678
2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide
CID 119473665
3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one
CID 128862882
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 119469805
[4-(methylamino)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119564041
(6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 155951984
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
(5-methylfuro[3,2-b]pyridin-2-yl)-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 138996158

Frequently Asked Questions

What is the IUPAC name of (5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone (CID 119473639) is (5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone is Cc1ccc2oc(C(=O)N3CCNCC3C)cc2n1.
What is the InChIKey of (5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is IRXZGURQVWCTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-3-4-12-11(16-9)7-13(19-12)14(18)17-6-5-15-8-10(17)2/h3-4,7,10,15H,5-6,8H2,1-2H3.
What are the key properties of (5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone?
(5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119473639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).