5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one

C14H23N3O2 — CID 57310388

IUPAC5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESCCCCc1c(CN2CCOCC2)c(N)c[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-2-3-4-11-12(13(15)9-16-14(11)18)10-17-5-7-19-8-6-17/h9H,2-8,10,15H2,1H3,(H,16,18)
InChIKeySZBRSZPCBGVXHH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.13
Rot. Bonds5

About 5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one

5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one (PubChem CID 57310388) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
PubChem CID57310388
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESCCCCc1c(CN2CCOCC2)c(N)c[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-2-3-4-11-12(13(15)9-16-14(11)18)10-17-5-7-19-8-6-17/h9H,2-8,10,15H2,1H3,(H,16,18)
InChIKeySZBRSZPCBGVXHH-UHFFFAOYSA-N
XLogP1.13
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one (CID 57310388) is 5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one is CCCCc1c(CN2CCOCC2)c(N)c[nH]c1=O.
What is the InChIKey of 5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The InChIKey is SZBRSZPCBGVXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-4-11-12(13(15)9-16-14(11)18)10-17-5-7-19-8-6-17/h9H,2-8,10,15H2,1H3,(H,16,18).
What are the key properties of 5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-butyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 57310388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).