6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide

C21H23N5O — CID 133313257

IUPAC6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCN(C)C(CNc1ccc(C(=O)Nc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C21H23N5O/c1-26(2)19(16-9-5-3-6-10-16)15-22-20-14-13-18(24-25-20)21(27)23-17-11-7-4-8-12-17/h3-14,19H,15H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyVLBRDDQEDYVVAO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.44
Rot. Bonds7

About 6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide

6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133313257) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide
PubChem CID133313257
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCN(C)C(CNc1ccc(C(=O)Nc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C21H23N5O/c1-26(2)19(16-9-5-3-6-10-16)15-22-20-14-13-18(24-25-20)21(27)23-17-11-7-4-8-12-17/h3-14,19H,15H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyVLBRDDQEDYVVAO-UHFFFAOYSA-N
XLogP3.44
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(dimethylamino)-3-phenylpropyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313365
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109111066
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
N-(4-bromophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111085
N-(4-ethylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111062
6-(2-phenoxyethylamino)-N-phenylpyridazine-3-carboxamide
CID 133313334
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111101
6-(2-phenylpropylamino)pyridazine-3-carboxamide
CID 112695970
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide
CID 133313240

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide (CID 133313257) is 6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide is CN(C)C(CNc1ccc(C(=O)Nc2ccccc2)nn1)c1ccccc1.
What is the InChIKey of 6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is VLBRDDQEDYVVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-26(2)19(16-9-5-3-6-10-16)15-22-20-14-13-18(24-25-20)21(27)23-17-11-7-4-8-12-17/h3-14,19H,15H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide?
6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).