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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Related Compounds

N-hydroxy-N-[(2-methyl-3-furyl)methyl]urea
CID 10725826
2(1H)-Pyridinone, 5-ethyl-3-((2-furanylmethyl)amino)-6-methyl-
CID 454399
2-methyl-N-(1,2,2-trimethylpropyl)-3-furamide
CID 2970515
1-Methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 75462305
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47081567
2,2-dimethyl-N-[3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 51090831
Tert-butyl 3-[(2-methylfuran-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 72004260
1-(cyclopropanecarbonyl)-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 72019173
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 72145293
[5-[(1E,5Z)-2,6-dimethylocta-1,5,7-trienyl]furan-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 72543909
[5-[(1E,5Z)-2,6-dimethylocta-1,5,7-trienyl]furan-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 72543910
2-methyl-N-[2-(morpholin-4-yl)ethyl]furan-3-carboxamide
CID 831628

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).