N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide

C11H12N4O — CID 112702167

IUPACN-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
SMILESN#CCCN(C(=O)c1ccnnc1)C1CC1
InChIInChI=1S/C11H12N4O/c12-5-1-7-15(10-2-3-10)11(16)9-4-6-13-14-8-9/h4,6,8,10H,1-3,7H2
InChIKeySSUKKRPFHUKQLG-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.99
Rot. Bonds4

About N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide

N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide (PubChem CID 112702167) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
PubChem CID112702167
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
SMILESN#CCCN(C(=O)c1ccnnc1)C1CC1
InChIInChI=1S/C11H12N4O/c12-5-1-7-15(10-2-3-10)11(16)9-4-6-13-14-8-9/h4,6,8,10H,1-3,7H2
InChIKeySSUKKRPFHUKQLG-UHFFFAOYSA-N
XLogP0.99
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
CID 54997229
4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 61053675
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105063440
N-(3-aminopropyl)-N-cycloheptylpyridazine-4-carboxamide
CID 104668877
6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
CID 62159894
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604
3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 107517439
N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
CID 115592849
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998615
N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide
CID 105069192

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide (CID 112702167) is N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide is N#CCCN(C(=O)c1ccnnc1)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide?
The InChIKey is SSUKKRPFHUKQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-5-1-7-15(10-2-3-10)11(16)9-4-6-13-14-8-9/h4,6,8,10H,1-3,7H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide?
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide is sourced from PubChem (CID 112702167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).