(C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate

C14H14N4O — CID 67902406

IUPAC(C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate
SMILESC/C(=N\c1ccncc1)O/C(C)=N/c1ccncc1
InChIInChI=1S/C14H14N4O/c1-11(17-13-3-7-15-8-4-13)19-12(2)18-14-5-9-16-10-6-14/h3-10H,1-2H3/b17-11+,18-12+
InChIKeyAKKGKESPGUOGQH-JYFOCSDGSA-N
MW254.29 g/mol
LogP3.29
Rot. Bonds2

About (C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate

(C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate (PubChem CID 67902406) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is (C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate.

Molecular Properties

Compound Name(C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate
PubChem CID67902406
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name(C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate
SMILESC/C(=N\c1ccncc1)O/C(C)=N/c1ccncc1
InChIInChI=1S/C14H14N4O/c1-11(17-13-3-7-15-8-4-13)19-12(2)18-14-5-9-16-10-6-14/h3-10H,1-2H3/b17-11+,18-12+
InChIKeyAKKGKESPGUOGQH-JYFOCSDGSA-N
XLogP3.29
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate?
The IUPAC name of (C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate (CID 67902406) is (C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate.
What is the SMILES notation for (C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate?
The canonical SMILES for (C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate is C/C(=N\c1ccncc1)O/C(C)=N/c1ccncc1.
What is the InChIKey of (C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate?
The InChIKey is AKKGKESPGUOGQH-JYFOCSDGSA-N. The full InChI is InChI=1S/C14H14N4O/c1-11(17-13-3-7-15-8-4-13)19-12(2)18-14-5-9-16-10-6-14/h3-10H,1-2H3/b17-11+,18-12+.
What are the key properties of (C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate?
(C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate has a molecular weight of 254.29 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate is sourced from PubChem (CID 67902406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).