[6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate

C12H17N3O3 — CID 175366136

IUPAC[6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate
SMILESCc1nc(OC(N)=O)ccc1NC1CCOCC1
InChIInChI=1S/C12H17N3O3/c1-8-10(15-9-4-6-17-7-5-9)2-3-11(14-8)18-12(13)16/h2-3,9,15H,4-7H2,1H3,(H2,13,16)
InChIKeyBXQGTSPZEZLWPJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.44
Rot. Bonds3

About [6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate

[6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate (PubChem CID 175366136) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate
PubChem CID175366136
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate
SMILESCc1nc(OC(N)=O)ccc1NC1CCOCC1
InChIInChI=1S/C12H17N3O3/c1-8-10(15-9-4-6-17-7-5-9)2-3-11(14-8)18-12(13)16/h2-3,9,15H,4-7H2,1H3,(H2,13,16)
InChIKeyBXQGTSPZEZLWPJ-UHFFFAOYSA-N
XLogP1.44
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate?
The IUPAC name of [6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate (CID 175366136) is [6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate.
What is the SMILES notation for [6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate?
The canonical SMILES for [6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate is Cc1nc(OC(N)=O)ccc1NC1CCOCC1.
What is the InChIKey of [6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate?
The InChIKey is BXQGTSPZEZLWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-10(15-9-4-6-17-7-5-9)2-3-11(14-8)18-12(13)16/h2-3,9,15H,4-7H2,1H3,(H2,13,16).
What are the key properties of [6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate?
[6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate has a molecular weight of 251.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-5-(oxan-4-ylamino)-2-pyridinyl] carbamate is sourced from PubChem (CID 175366136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).