N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide

C21H23N7O2 — CID 47001201

IUPACN-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1
InChIInChI=1S/C21H23N7O2/c1-30-17-7-5-16(6-8-17)23-21(29)28-14-12-27(13-15-28)20-10-9-19(25-26-20)24-18-4-2-3-11-22-18/h2-11H,12-15H2,1H3,(H,23,29)(H,22,24,25)
InChIKeyXEKSLRLMDKVEGG-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.98
Rot. Bonds5

About N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide

N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 47001201) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID47001201
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1
InChIInChI=1S/C21H23N7O2/c1-30-17-7-5-16(6-8-17)23-21(29)28-14-12-27(13-15-28)20-10-9-19(25-26-20)24-18-4-2-3-11-22-18/h2-11H,12-15H2,1H3,(H,23,29)(H,22,24,25)
InChIKeyXEKSLRLMDKVEGG-UHFFFAOYSA-N
XLogP2.98
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(pyridin-2-ylamino)pyridazin-3-yl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 121064963
N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 47001350
N-(3,5-difluorophenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 56700221
4-[6-(pyridin-2-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 122347328
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347323
4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
CID 56919619
4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122349864
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122347436
N-(4-chlorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 50947917
N-(4-fluorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111775
N-(4-methoxy-2-methylphenyl)-4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 71800266
N-(2-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111702

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide (CID 47001201) is N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is XEKSLRLMDKVEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-30-17-7-5-16(6-8-17)23-21(29)28-14-12-27(13-15-28)20-10-9-19(25-26-20)24-18-4-2-3-11-22-18/h2-11H,12-15H2,1H3,(H,23,29)(H,22,24,25).
What are the key properties of N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 47001201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).