6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide

C15H18N4O2 — CID 133313240

IUPAC6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide
SMILESCOCC(C)Nc1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C15H18N4O2/c1-11(10-21-2)16-14-9-8-13(18-19-14)15(20)17-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPYROJSTZTHNCCD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.18
Rot. Bonds6

About 6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide

6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide (PubChem CID 133313240) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide
PubChem CID133313240
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide
SMILESCOCC(C)Nc1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C15H18N4O2/c1-11(10-21-2)16-14-9-8-13(18-19-14)15(20)17-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPYROJSTZTHNCCD-UHFFFAOYSA-N
XLogP2.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide
CID 109111487
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785
6-hydrazinyl-N-(1-methoxypropan-2-yl)pyridazine-3-carboxamide
CID 62236681
6-(2-phenoxyethylamino)-N-phenylpyridazine-3-carboxamide
CID 133313334
6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109111531
6-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109113837
6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine
CID 29298750
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79214306
6-[[2-(dimethylamino)-2-phenylethyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313257

Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide (CID 133313240) is 6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide is COCC(C)Nc1ccc(C(=O)Nc2ccccc2)nn1.
What is the InChIKey of 6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide?
The InChIKey is PYROJSTZTHNCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(10-21-2)16-14-9-8-13(18-19-14)15(20)17-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide?
6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).