(5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid

C15H13N3O2 — CID 118036198

IUPAC(5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid
SMILESCCc1cc(N(C(=O)O)c2ccccc2)ncc1C#N
InChIInChI=1S/C15H13N3O2/c1-2-11-8-14(17-10-12(11)9-16)18(15(19)20)13-6-4-3-5-7-13/h3-8,10H,2H2,1H3,(H,19,20)
InChIKeyUAQCPBYREDOOAX-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.33
Rot. Bonds3

About (5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid

(5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid (PubChem CID 118036198) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid.

Molecular Properties

Compound Name(5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid
PubChem CID118036198
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid
SMILESCCc1cc(N(C(=O)O)c2ccccc2)ncc1C#N
InChIInChI=1S/C15H13N3O2/c1-2-11-8-14(17-10-12(11)9-16)18(15(19)20)13-6-4-3-5-7-13/h3-8,10H,2H2,1H3,(H,19,20)
InChIKeyUAQCPBYREDOOAX-UHFFFAOYSA-N
XLogP3.33
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid?
The IUPAC name of (5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid (CID 118036198) is (5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid.
What is the SMILES notation for (5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid?
The canonical SMILES for (5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid is CCc1cc(N(C(=O)O)c2ccccc2)ncc1C#N.
What is the InChIKey of (5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid?
The InChIKey is UAQCPBYREDOOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-11-8-14(17-10-12(11)9-16)18(15(19)20)13-6-4-3-5-7-13/h3-8,10H,2H2,1H3,(H,19,20).
What are the key properties of (5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid?
(5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid has a molecular weight of 267.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid is sourced from PubChem (CID 118036198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).