propan-2-yl N-(5-methyl-3-pyridinyl)carbamate

C10H14N2O2 — CID 107584983

IUPACpropan-2-yl N-(5-methyl-3-pyridinyl)carbamate
SMILESCc1cncc(NC(=O)OC(C)C)c1
InChIInChI=1S/C10H14N2O2/c1-7(2)14-10(13)12-9-4-8(3)5-11-6-9/h4-7H,1-3H3,(H,12,13)
InChIKeyPOGSUYCCPVXAOK-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.35
Rot. Bonds2

About propan-2-yl N-(5-methyl-3-pyridinyl)carbamate

propan-2-yl N-(5-methyl-3-pyridinyl)carbamate (PubChem CID 107584983) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is propan-2-yl N-(5-methyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(5-methyl-3-pyridinyl)carbamate
PubChem CID107584983
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namepropan-2-yl N-(5-methyl-3-pyridinyl)carbamate
SMILESCc1cncc(NC(=O)OC(C)C)c1
InChIInChI=1S/C10H14N2O2/c1-7(2)14-10(13)12-9-4-8(3)5-11-6-9/h4-7H,1-3H3,(H,12,13)
InChIKeyPOGSUYCCPVXAOK-UHFFFAOYSA-N
XLogP2.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(5-methyl-3-pyridinyl)carbamate?
The IUPAC name of propan-2-yl N-(5-methyl-3-pyridinyl)carbamate (CID 107584983) is propan-2-yl N-(5-methyl-3-pyridinyl)carbamate.
What is the SMILES notation for propan-2-yl N-(5-methyl-3-pyridinyl)carbamate?
The canonical SMILES for propan-2-yl N-(5-methyl-3-pyridinyl)carbamate is Cc1cncc(NC(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl N-(5-methyl-3-pyridinyl)carbamate?
The InChIKey is POGSUYCCPVXAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)14-10(13)12-9-4-8(3)5-11-6-9/h4-7H,1-3H3,(H,12,13).
What are the key properties of propan-2-yl N-(5-methyl-3-pyridinyl)carbamate?
propan-2-yl N-(5-methyl-3-pyridinyl)carbamate has a molecular weight of 194.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(5-methyl-3-pyridinyl)carbamate is sourced from PubChem (CID 107584983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).