N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide

C14H15N3O2 — CID 90509364

IUPACN-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(OC)nn1)c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-3-17(11-7-5-4-6-8-11)14(18)12-9-10-13(19-2)16-15-12/h4-10H,3H2,1-2H3
InChIKeyHPAAHPNXZFAEJN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.15
Rot. Bonds4

About N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide

N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide (PubChem CID 90509364) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide
PubChem CID90509364
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(OC)nn1)c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-3-17(11-7-5-4-6-8-11)14(18)12-9-10-13(19-2)16-15-12/h4-10H,3H2,1-2H3
InChIKeyHPAAHPNXZFAEJN-UHFFFAOYSA-N
XLogP2.15
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide (CID 90509364) is N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide is CCN(C(=O)c1ccc(OC)nn1)c1ccccc1.
What is the InChIKey of N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide?
The InChIKey is HPAAHPNXZFAEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-17(11-7-5-4-6-8-11)14(18)12-9-10-13(19-2)16-15-12/h4-10H,3H2,1-2H3.
What are the key properties of N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide?
N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 90509364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).