4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide

C21H23N7O — CID 56919619

IUPAC4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccccc4)CC3)nn2)nc1
InChIInChI=1S/C21H23N7O/c1-16-7-8-18(22-15-16)24-19-9-10-20(26-25-19)27-11-13-28(14-12-27)21(29)23-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,23,29)(H,22,24,25)
InChIKeyCETHMVJLBWOAGG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.28
Rot. Bonds4

About 4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide

4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide (PubChem CID 56919619) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
PubChem CID56919619
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccccc4)CC3)nn2)nc1
InChIInChI=1S/C21H23N7O/c1-16-7-8-18(22-15-16)24-19-9-10-20(26-25-19)27-11-13-28(14-12-27)21(29)23-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,23,29)(H,22,24,25)
InChIKeyCETHMVJLBWOAGG-UHFFFAOYSA-N
XLogP3.28
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 56919468
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 70702478
(2-methylphenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919498
N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 47001350
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 70702484
(2,6-difluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 70702741
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122351396
N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 47001201
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122351390
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 122351296
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122351437

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide (CID 56919619) is 4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide is Cc1ccc(Nc2ccc(N3CCN(C(=O)Nc4ccccc4)CC3)nn2)nc1.
What is the InChIKey of 4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is CETHMVJLBWOAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-16-7-8-18(22-15-16)24-19-9-10-20(26-25-19)27-11-13-28(14-12-27)21(29)23-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,23,29)(H,22,24,25).
What are the key properties of 4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide?
4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 56919619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).