(4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid

C11H16N2O2 — CID 53249594

IUPAC(4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid
SMILESCc1cc(C)nc(N(C(=O)O)C(C)C)c1
InChIInChI=1S/C11H16N2O2/c1-7(2)13(11(14)15)10-6-8(3)5-9(4)12-10/h5-7H,1-4H3,(H,14,15)
InChIKeyUINDYWVOXCVWLN-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.59
Rot. Bonds2

About (4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid

(4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid (PubChem CID 53249594) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name(4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid
PubChem CID53249594
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid
SMILESCc1cc(C)nc(N(C(=O)O)C(C)C)c1
InChIInChI=1S/C11H16N2O2/c1-7(2)13(11(14)15)10-6-8(3)5-9(4)12-10/h5-7H,1-4H3,(H,14,15)
InChIKeyUINDYWVOXCVWLN-UHFFFAOYSA-N
XLogP2.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid?
The IUPAC name of (4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid (CID 53249594) is (4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid.
What is the SMILES notation for (4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid?
The canonical SMILES for (4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid is Cc1cc(C)nc(N(C(=O)O)C(C)C)c1.
What is the InChIKey of (4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid?
The InChIKey is UINDYWVOXCVWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)13(11(14)15)10-6-8(3)5-9(4)12-10/h5-7H,1-4H3,(H,14,15).
What are the key properties of (4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid?
(4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid has a molecular weight of 208.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-2-pyridinyl)-propan-2-ylcarbamic acid is sourced from PubChem (CID 53249594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).