2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

C19H19ClN6O — CID 121065101

IUPAC2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCNc1ccc(Nc2ccncc2)nn1
InChIInChI=1S/C19H19ClN6O/c20-15-3-1-14(2-4-15)13-19(27)23-12-11-22-17-5-6-18(26-25-17)24-16-7-9-21-10-8-16/h1-10H,11-13H2,(H,22,25)(H,23,27)(H,21,24,26)
InChIKeyMQHVMIBYKVWYQF-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.04
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 121065101) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
PubChem CID121065101
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCNc1ccc(Nc2ccncc2)nn1
InChIInChI=1S/C19H19ClN6O/c20-15-3-1-14(2-4-15)13-19(27)23-12-11-22-17-5-6-18(26-25-17)24-16-7-9-21-10-8-16/h1-10H,11-13H2,(H,22,25)(H,23,27)(H,21,24,26)
InChIKeyMQHVMIBYKVWYQF-UHFFFAOYSA-N
XLogP3.04
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065151
4-chloro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700446
2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122289096
2-chloro-6-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700402
1-(3-chlorophenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065102
4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121065155
4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289215
4-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700102
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 42111935
4-chloro-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066456
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122289061
3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56699027

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (CID 121065101) is 2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCNc1ccc(Nc2ccncc2)nn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The InChIKey is MQHVMIBYKVWYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-15-3-1-14(2-4-15)13-19(27)23-12-11-22-17-5-6-18(26-25-17)24-16-7-9-21-10-8-16/h1-10H,11-13H2,(H,22,25)(H,23,27)(H,21,24,26).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 382.86 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 121065101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).