N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide

C31H35N5O2 — CID 46006197

IUPACN-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(CN(CC1CC1)C(=O)C1CCC1)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
InChIInChI=1S/C31H35N5O2/c37-30(22-36(21-23-9-10-23)31(38)27-7-4-8-27)35-19-17-34(18-20-35)29-16-15-28(32-33-29)26-13-11-25(12-14-26)24-5-2-1-3-6-24/h1-3,5-6,11-16,23,27H,4,7-10,17-22H2
InChIKeyWASNCIMIZRTGNK-UHFFFAOYSA-N
MW509.65 g/mol
LogP4.50
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide

N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide (PubChem CID 46006197) has the molecular formula C31H35N5O2 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
PubChem CID46006197
Molecular FormulaC31H35N5O2
Molecular Weight509.65 g/mol
Exact Mass509.28
IUPAC NameN-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(CN(CC1CC1)C(=O)C1CCC1)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
InChIInChI=1S/C31H35N5O2/c37-30(22-36(21-23-9-10-23)31(38)27-7-4-8-27)35-19-17-34(18-20-35)29-16-15-28(32-33-29)26-13-11-25(12-14-26)24-5-2-1-3-6-24/h1-3,5-6,11-16,23,27H,4,7-10,17-22H2
InChIKeyWASNCIMIZRTGNK-UHFFFAOYSA-N
XLogP4.50
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.65
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
CID 46006196
N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide
CID 46006208
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclobutanecarboxamide
CID 46002095
N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl]cyclobutanecarboxamide
CID 42833251
N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide
CID 42832359
2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 83278599
N-benzyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46147660
N-[(2R)-butan-2-yl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 93155052
N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 46001563
N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 93156597
N-cyclopropyl-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclobutanecarboxamide
CID 46001801
N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide
CID 42832818

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide (CID 46006197) is N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide is O=C(CN(CC1CC1)C(=O)C1CCC1)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is WASNCIMIZRTGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O2/c37-30(22-36(21-23-9-10-23)31(38)27-7-4-8-27)35-19-17-34(18-20-35)29-16-15-28(32-33-29)26-13-11-25(12-14-26)24-5-2-1-3-6-24/h1-3,5-6,11-16,23,27H,4,7-10,17-22H2.
What are the key properties of N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide?
N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 509.65 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 46006197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).