6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide

C20H19ClN4O2 — CID 133472213

IUPAC6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCC(O)(CNc1ccc(C(=O)Nc2ccccc2)nn1)c1ccccc1Cl
InChIInChI=1S/C20H19ClN4O2/c1-20(27,15-9-5-6-10-16(15)21)13-22-18-12-11-17(24-25-18)19(26)23-14-7-3-2-4-8-14/h2-12,27H,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyCEIPPPPFOBKPAZ-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.70
Rot. Bonds6

About 6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide

6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133472213) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide
PubChem CID133472213
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCC(O)(CNc1ccc(C(=O)Nc2ccccc2)nn1)c1ccccc1Cl
InChIInChI=1S/C20H19ClN4O2/c1-20(27,15-9-5-6-10-16(15)21)13-22-18-12-11-17(24-25-18)19(26)23-14-7-3-2-4-8-14/h2-12,27H,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyCEIPPPPFOBKPAZ-UHFFFAOYSA-N
XLogP3.70
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide (CID 133472213) is 6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide is CC(O)(CNc1ccc(C(=O)Nc2ccccc2)nn1)c1ccccc1Cl.
What is the InChIKey of 6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is CEIPPPPFOBKPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-20(27,15-9-5-6-10-16(15)21)13-22-18-12-11-17(24-25-18)19(26)23-14-7-3-2-4-8-14/h2-12,27H,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide?
6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133472213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).