N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide

C14H18N4O — CID 104625544

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C14H18N4O/c1-3-13-12(9-10(2)16-17-13)14(19)18(8-4-7-15)11-5-6-11/h9,11H,3-6,8H2,1-2H3
InChIKeyHQVKVZGTBQZDBE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.87
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide

N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104625544) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104625544
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C14H18N4O/c1-3-13-12(9-10(2)16-17-13)14(19)18(8-4-7-15)11-5-6-11/h9,11H,3-6,8H2,1-2H3
InChIKeyHQVKVZGTBQZDBE-UHFFFAOYSA-N
XLogP1.87
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethyl-2-oxobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113434370
N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 103915545
3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 104625735
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668997
N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 107482520
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107491193
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3,6-dimethylpyridazine-4-carboxamide
CID 107491674
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107491767
N-(2-chloroethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107492065
N-(2-chloroethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107492155
N-(2-bromoethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107492446
N-(2-bromoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107492535

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104625544) is N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is HQVKVZGTBQZDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-13-12(9-10(2)16-17-13)14(19)18(8-4-7-15)11-5-6-11/h9,11H,3-6,8H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104625544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).