N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide

C14H16N4O — CID 104669257

IUPACN-(4-aminophenyl)-N-propylpyridazine-4-carboxamide
SMILESCCCN(C(=O)c1ccnnc1)c1ccc(N)cc1
InChIInChI=1S/C14H16N4O/c1-2-9-18(13-5-3-12(15)4-6-13)14(19)11-7-8-16-17-10-11/h3-8,10H,2,9,15H2,1H3
InChIKeyUGCDXOQFYHJBEG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.12
Rot. Bonds4

About N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide

N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide (PubChem CID 104669257) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-propylpyridazine-4-carboxamide
PubChem CID104669257
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(4-aminophenyl)-N-propylpyridazine-4-carboxamide
SMILESCCCN(C(=O)c1ccnnc1)c1ccc(N)cc1
InChIInChI=1S/C14H16N4O/c1-2-9-18(13-5-3-12(15)4-6-13)14(19)11-7-8-16-17-10-11/h3-8,10H,2,9,15H2,1H3
InChIKeyUGCDXOQFYHJBEG-UHFFFAOYSA-N
XLogP2.12
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide
CID 104668912
N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446026
N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63233676
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide
CID 65206351
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977
N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide
CID 113439418
N-(4-aminophenyl)-2-methoxy-N-propylacetamide
CID 63233545
N-ethyl-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 115769350
N-(4-aminophenyl)-N,2-dipropylpentanamide
CID 82983981
N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63233675
N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
CID 63234191

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide (CID 104669257) is N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide is CCCN(C(=O)c1ccnnc1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide?
The InChIKey is UGCDXOQFYHJBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-9-18(13-5-3-12(15)4-6-13)14(19)11-7-8-16-17-10-11/h3-8,10H,2,9,15H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide?
N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide is sourced from PubChem (CID 104669257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).