6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide

C22H22N4O3 — CID 133497372

IUPAC6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCOc1cc(CN(c2ccc(C(=O)Nc3ccccc3)nn2)C2CC2)ccc1O
InChIInChI=1S/C22H22N4O3/c1-29-20-13-15(7-11-19(20)27)14-26(17-8-9-17)21-12-10-18(24-25-21)22(28)23-16-5-3-2-4-6-16/h2-7,10-13,17,27H,8-9,14H2,1H3,(H,23,28)
InChIKeySAWRXVNLGLYUFX-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.61
Rot. Bonds7

About 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide

6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133497372) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
PubChem CID133497372
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCOc1cc(CN(c2ccc(C(=O)Nc3ccccc3)nn2)C2CC2)ccc1O
InChIInChI=1S/C22H22N4O3/c1-29-20-13-15(7-11-19(20)27)14-26(17-8-9-17)21-12-10-18(24-25-21)22(28)23-16-5-3-2-4-6-16/h2-7,10-13,17,27H,8-9,14H2,1H3,(H,23,28)
InChIKeySAWRXVNLGLYUFX-UHFFFAOYSA-N
XLogP3.61
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide (CID 133497372) is 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide is COc1cc(CN(c2ccc(C(=O)Nc3ccccc3)nn2)C2CC2)ccc1O.
What is the InChIKey of 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is SAWRXVNLGLYUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-20-13-15(7-11-19(20)27)14-26(17-8-9-17)21-12-10-18(24-25-21)22(28)23-16-5-3-2-4-6-16/h2-7,10-13,17,27H,8-9,14H2,1H3,(H,23,28).
What are the key properties of 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133497372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).