N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

C16H17ClN4O3 — CID 109110369

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)nn1
InChIInChI=1S/C16H17ClN4O3/c1-4-7-18-15-6-5-11(20-21-15)16(22)19-12-9-13(23-2)10(17)8-14(12)24-3/h4-6,8-9H,1,7H2,2-3H3,(H,18,21)(H,19,22)
InChIKeyGWRFVSHQIPSWIQ-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.00
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (PubChem CID 109110369) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
PubChem CID109110369
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)nn1
InChIInChI=1S/C16H17ClN4O3/c1-4-7-18-15-6-5-11(20-21-15)16(22)19-12-9-13(23-2)10(17)8-14(12)24-3/h4-6,8-9H,1,7H2,2-3H3,(H,18,21)(H,19,22)
InChIKeyGWRFVSHQIPSWIQ-UHFFFAOYSA-N
XLogP3.00
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110309
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 109126727
N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110366
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 60859836
methyl 4-[[6-(prop-2-enylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109110332
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
6-(4-chloro-2,5-dimethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109384
N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118337
N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110227
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120786

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (CID 109110369) is N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is C=CCNc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)nn1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The InChIKey is GWRFVSHQIPSWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-4-7-18-15-6-5-11(20-21-15)16(22)19-12-9-13(23-2)10(17)8-14(12)24-3/h4-6,8-9H,1,7H2,2-3H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).