N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide

C19H24N6O2 — CID 113049312

IUPACN-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nn2)cc1
InChIInChI=1S/C19H24N6O2/c1-13(26)20-15-7-9-16(10-8-15)21-17-11-12-18(25-24-17)23-19(27)22-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,20,26)(H,21,24)(H2,22,23,25,27)
InChIKeyMKOLBFDFZINGSC-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.63
Rot. Bonds5

About N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide

N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide (PubChem CID 113049312) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
PubChem CID113049312
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nn2)cc1
InChIInChI=1S/C19H24N6O2/c1-13(26)20-15-7-9-16(10-8-15)21-17-11-12-18(25-24-17)23-19(27)22-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,20,26)(H,21,24)(H2,22,23,25,27)
InChIKeyMKOLBFDFZINGSC-UHFFFAOYSA-N
XLogP3.63
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea
CID 113049683
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
1-[6-(4-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113048047
1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
CID 113049629
1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482
N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
CID 113049902
1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
CID 113018351
1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113050196
1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
CID 113051505

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide (CID 113049312) is N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nn2)cc1.
What is the InChIKey of N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide?
The InChIKey is MKOLBFDFZINGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13(26)20-15-7-9-16(10-8-15)21-17-11-12-18(25-24-17)23-19(27)22-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,20,26)(H,21,24)(H2,22,23,25,27).
What are the key properties of N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide?
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 113049312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).