N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide

C21H22N6O — CID 133313399

IUPACN-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCN(Cc3ccncc3)CC2)nn1
InChIInChI=1S/C21H22N6O/c28-21(23-18-4-2-1-3-5-18)19-6-7-20(25-24-19)27-14-12-26(13-15-27)16-17-8-10-22-11-9-17/h1-11H,12-16H2,(H,23,28)
InChIKeyCLKLQFYQNLTNFF-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.45
Rot. Bonds5

About N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide

N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 133313399) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID133313399
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCN(Cc3ccncc3)CC2)nn1
InChIInChI=1S/C21H22N6O/c28-21(23-18-4-2-1-3-5-18)19-6-7-20(25-24-19)27-14-12-26(13-15-27)16-17-8-10-22-11-9-17/h1-11H,12-16H2,(H,23,28)
InChIKeyCLKLQFYQNLTNFF-UHFFFAOYSA-N
XLogP2.45
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313428
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133499682
N-phenyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109124061
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027865
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121392

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide (CID 133313399) is N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(N2CCN(Cc3ccncc3)CC2)nn1.
What is the InChIKey of N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is CLKLQFYQNLTNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21(23-18-4-2-1-3-5-18)19-6-7-20(25-24-19)27-14-12-26(13-15-27)16-17-8-10-22-11-9-17/h1-11H,12-16H2,(H,23,28).
What are the key properties of N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide?
N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 133313399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).