N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide

C25H29N5O2 — CID 39969601

IUPACN-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C25H29N5O2/c1-2-15-30-23(31)14-13-22(26-30)25(32)27-29-18-16-28(17-19-29)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,24H,2,15-19H2,1H3,(H,27,32)
InChIKeyHFAHKMNQVRKIAC-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.71
Rot. Bonds7

About N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 39969601) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID39969601
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C25H29N5O2/c1-2-15-30-23(31)14-13-22(26-30)25(32)27-29-18-16-28(17-19-29)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,24H,2,15-19H2,1H3,(H,27,32)
InChIKeyHFAHKMNQVRKIAC-UHFFFAOYSA-N
XLogP2.71
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 39969601) is N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1=O.
What is the InChIKey of N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is HFAHKMNQVRKIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-2-15-30-23(31)14-13-22(26-30)25(32)27-29-18-16-28(17-19-29)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,24H,2,15-19H2,1H3,(H,27,32).
What are the key properties of N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 39969601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).