5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one

C14H19N3O2 — CID 61426276

IUPAC5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one
SMILESCc1occc1CN(C)CCn1cc(N)ccc1=O
InChIInChI=1S/C14H19N3O2/c1-11-12(5-8-19-11)9-16(2)6-7-17-10-13(15)3-4-14(17)18/h3-5,8,10H,6-7,9,15H2,1-2H3
InChIKeyGXLZFCBFNUZZNG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.46
Rot. Bonds5

About 5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one

5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one (PubChem CID 61426276) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one
PubChem CID61426276
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one
SMILESCc1occc1CN(C)CCn1cc(N)ccc1=O
InChIInChI=1S/C14H19N3O2/c1-11-12(5-8-19-11)9-16(2)6-7-17-10-13(15)3-4-14(17)18/h3-5,8,10H,6-7,9,15H2,1-2H3
InChIKeyGXLZFCBFNUZZNG-UHFFFAOYSA-N
XLogP1.46
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one (CID 61426276) is 5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one is Cc1occc1CN(C)CCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one?
The InChIKey is GXLZFCBFNUZZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-12(5-8-19-11)9-16(2)6-7-17-10-13(15)3-4-14(17)18/h3-5,8,10H,6-7,9,15H2,1-2H3.
What are the key properties of 5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one?
5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one is sourced from PubChem (CID 61426276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).