N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide

C25H29N5O3S — CID 46147144

IUPACN-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccs1
InChIInChI=1S/C25H29N5O3S/c1-3-12-30(25(32)22-5-4-17-34-22)18-24(31)29-15-13-28(14-16-29)23-11-10-21(26-27-23)19-6-8-20(33-2)9-7-19/h4-11,17H,3,12-16,18H2,1-2H3
InChIKeyKEJQEBZWTQFSLL-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.41
Rot. Bonds8

About N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide

N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide (PubChem CID 46147144) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
PubChem CID46147144
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC NameN-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccs1
InChIInChI=1S/C25H29N5O3S/c1-3-12-30(25(32)22-5-4-17-34-22)18-24(31)29-15-13-28(14-16-29)23-11-10-21(26-27-23)19-6-8-20(33-2)9-7-19/h4-11,17H,3,12-16,18H2,1-2H3
InChIKeyKEJQEBZWTQFSLL-UHFFFAOYSA-N
XLogP3.41
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(3-methylbutyl)thiophene-2-carboxamide
CID 46001390
N-[(4-fluorophenyl)methyl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 46001577
3-methoxy-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylbenzamide
CID 83281755
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 46000595
4-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 46006213
N-ethyl-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 42833198
N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 46147399
4-fluoro-N-(2-methoxyethyl)-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 42831842
4-chloro-N-(2-methoxyethyl)-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 42831848
N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 42832419
N-[(2S)-butan-2-yl]-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93156569
N-butyl-3-methoxy-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 46003619

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide (CID 46147144) is N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide is CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The InChIKey is KEJQEBZWTQFSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-3-12-30(25(32)22-5-4-17-34-22)18-24(31)29-15-13-28(14-16-29)23-11-10-21(26-27-23)19-6-8-20(33-2)9-7-19/h4-11,17H,3,12-16,18H2,1-2H3.
What are the key properties of N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide?
N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 46147144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).