1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea

C19H17N5O2 — CID 113049173

IUPAC1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)Nc3ccccc3)nn2)cc1
InChIInChI=1S/C19H17N5O2/c1-13(25)14-7-9-16(10-8-14)20-17-11-12-18(24-23-17)22-19(26)21-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)(H2,21,22,24,26)
InChIKeyYYAKDAJFPTVKRG-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.07
Rot. Bonds5

About 1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea

1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea (PubChem CID 113049173) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea
PubChem CID113049173
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)Nc3ccccc3)nn2)cc1
InChIInChI=1S/C19H17N5O2/c1-13(25)14-7-9-16(10-8-14)20-17-11-12-18(24-23-17)22-19(26)21-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)(H2,21,22,24,26)
InChIKeyYYAKDAJFPTVKRG-UHFFFAOYSA-N
XLogP4.07
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049129
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
CID 113049122
1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea
CID 113050107
N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113049126
1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea
CID 113046668
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea?
The IUPAC name of 1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea (CID 113049173) is 1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea is CC(=O)c1ccc(Nc2ccc(NC(=O)Nc3ccccc3)nn2)cc1.
What is the InChIKey of 1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea?
The InChIKey is YYAKDAJFPTVKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13(25)14-7-9-16(10-8-14)20-17-11-12-18(24-23-17)22-19(26)21-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)(H2,21,22,24,26).
What are the key properties of 1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea?
1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea has a molecular weight of 347.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea is sourced from PubChem (CID 113049173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).