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6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

C26H32N6O4 — CID 169270921

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(Cc3c(OC)cc(-c4cncc(O)c4)cc3OC)CC2)nn1
InChIInChI=1S/C26H32N6O4/c1-4-7-28-26(34)22-5-6-25(30-29-22)32-10-8-31(9-11-32)17-21-23(35-2)13-18(14-24(21)36-3)19-12-20(33)16-27-15-19/h5-6,12-16,33H,4,7-11,17H2,1-3H3,(H,28,34)
InChIKeyIRFTWKQBXVACPN-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.72
Rot. Bonds9

About 6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide

6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (PubChem CID 169270921) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
PubChem CID169270921
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC Name6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(Cc3c(OC)cc(-c4cncc(O)c4)cc3OC)CC2)nn1
InChIInChI=1S/C26H32N6O4/c1-4-7-28-26(34)22-5-6-25(30-29-22)32-10-8-31(9-11-32)17-21-23(35-2)13-18(14-24(21)36-3)19-12-20(33)16-27-15-19/h5-6,12-16,33H,4,7-11,17H2,1-3H3,(H,28,34)
InChIKeyIRFTWKQBXVACPN-UHFFFAOYSA-N
XLogP2.72
TPSA112.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide (CID 169270921) is 6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(N2CCN(Cc3c(OC)cc(-c4cncc(O)c4)cc3OC)CC2)nn1.
What is the InChIKey of 6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
The InChIKey is IRFTWKQBXVACPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-4-7-28-26(34)22-5-6-25(30-29-22)32-10-8-31(9-11-32)17-21-23(35-2)13-18(14-24(21)36-3)19-12-20(33)16-27-15-19/h5-6,12-16,33H,4,7-11,17H2,1-3H3,(H,28,34).
What are the key properties of 6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide?
6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(5-hydroxy-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 169270921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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