(4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid

C14H14N2O2 — CID 69071289

IUPAC(4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid
SMILESCc1cc(C)nc(N(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-10-8-11(2)15-13(9-10)16(14(17)18)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18)
InChIKeyXAUWNGFMUSHGKQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.51
Rot. Bonds2

About (4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid

(4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid (PubChem CID 69071289) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid.

Molecular Properties

Compound Name(4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid
PubChem CID69071289
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid
SMILESCc1cc(C)nc(N(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-10-8-11(2)15-13(9-10)16(14(17)18)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18)
InChIKeyXAUWNGFMUSHGKQ-UHFFFAOYSA-N
XLogP3.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.51
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)-phenylcarbamic acid?
The IUPAC name of (4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid (CID 69071289) is (4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid.
What is the SMILES notation for (4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid?
The canonical SMILES for (4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid is Cc1cc(C)nc(N(C(=O)O)c2ccccc2)c1.
What is the InChIKey of (4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid?
The InChIKey is XAUWNGFMUSHGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-8-11(2)15-13(9-10)16(14(17)18)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of (4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid?
(4,6-dimethyl-2-pyridinyl)-phenylcarbamic acid has a molecular weight of 242.28 g/mol, XLogP of 3.51, 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)-phenylcarbamic acid is sourced from PubChem (CID 69071289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).