N-ethyl-N,3-dimethylpyridazine-4-carboxamide

C9H13N3O — CID 130684655

IUPACN-ethyl-N,3-dimethylpyridazine-4-carboxamide
SMILESCCN(C)C(=O)c1ccnnc1C
InChIInChI=1S/C9H13N3O/c1-4-12(3)9(13)8-5-6-10-11-7(8)2/h5-6H,4H2,1-3H3
InChIKeyRKTUTADNNYUVJG-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.88
Rot. Bonds2

About N-ethyl-N,3-dimethylpyridazine-4-carboxamide

N-ethyl-N,3-dimethylpyridazine-4-carboxamide (PubChem CID 130684655) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-ethyl-N,3-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,3-dimethylpyridazine-4-carboxamide
PubChem CID130684655
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-ethyl-N,3-dimethylpyridazine-4-carboxamide
SMILESCCN(C)C(=O)c1ccnnc1C
InChIInChI=1S/C9H13N3O/c1-4-12(3)9(13)8-5-6-10-11-7(8)2/h5-6H,4H2,1-3H3
InChIKeyRKTUTADNNYUVJG-UHFFFAOYSA-N
XLogP0.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-iodo-N-methylpyridine-3-carboxamide
CID 130719597
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
N-ethyl-N,2-dimethylthiophene-3-carboxamide
CID 68938475
N-ethyl-N-methyl-1H-pyrazole-5-carboxamide
CID 70181889
4-chloro-N-ethyl-N,6-dimethylpyridine-3-carboxamide
CID 81225000
N-methoxy-3-methylpyridazine-4-carboxamide
CID 127009551
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
2-chloro-N-ethyl-N-methylfuran-3-carboxamide
CID 106685381
cyclopropyl 3-methylpyridazine-4-carboxylate
CID 131019505
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
N-butyl-N,2,3-trimethylpyridine-4-carboxamide
CID 110855754
N-ethyl-N,4,5-trimethylthiophene-3-carboxamide
CID 130891013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-ethyl-N,3-dimethylpyridazine-4-carboxamide (CID 130684655) is N-ethyl-N,3-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-ethyl-N,3-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-ethyl-N,3-dimethylpyridazine-4-carboxamide is CCN(C)C(=O)c1ccnnc1C.
What is the InChIKey of N-ethyl-N,3-dimethylpyridazine-4-carboxamide?
The InChIKey is RKTUTADNNYUVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-12(3)9(13)8-5-6-10-11-7(8)2/h5-6H,4H2,1-3H3.
What are the key properties of N-ethyl-N,3-dimethylpyridazine-4-carboxamide?
N-ethyl-N,3-dimethylpyridazine-4-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 130684655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).