N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C27H34N4O3 — CID 16885622

IUPACN-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(N(CC)CC)cc3C)n2)cc1
InChIInChI=1S/C27H34N4O3/c1-5-30(6-2)22-12-15-24(20(4)19-22)28-26(32)9-8-18-31-27(33)17-16-25(29-31)21-10-13-23(14-11-21)34-7-3/h10-17,19H,5-9,18H2,1-4H3,(H,28,32)
InChIKeyMQANXUYOSVKZNC-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.88
Rot. Bonds11

About N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide

N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885622) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885622
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(N(CC)CC)cc3C)n2)cc1
InChIInChI=1S/C27H34N4O3/c1-5-30(6-2)22-12-15-24(20(4)19-22)28-26(32)9-8-18-31-27(33)17-16-25(29-31)21-10-13-23(14-11-21)34-7-3/h10-17,19H,5-9,18H2,1-4H3,(H,28,32)
InChIKeyMQANXUYOSVKZNC-UHFFFAOYSA-N
XLogP4.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885591
N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885496
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide
CID 16884592
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 16885563
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)butanamide
CID 16885594
N-[4-(diethylamino)phenyl]-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885370
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide
CID 16885616
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
CID 16885602
N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885266
N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052464
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730
N-[4-(diethylamino)-2-methylphenyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038356

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885622) is N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(N(CC)CC)cc3C)n2)cc1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is MQANXUYOSVKZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-5-30(6-2)22-12-15-24(20(4)19-22)28-26(32)9-8-18-31-27(33)17-16-25(29-31)21-10-13-23(14-11-21)34-7-3/h10-17,19H,5-9,18H2,1-4H3,(H,28,32).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 462.59 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).