6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide

C16H20N4O — CID 97325450

IUPAC6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide
SMILESCC[C@@H](Cc1ccccc1)N(C)c1ccc(C(N)=O)nn1
InChIInChI=1S/C16H20N4O/c1-3-13(11-12-7-5-4-6-8-12)20(2)15-10-9-14(16(17)21)18-19-15/h4-10,13H,3,11H2,1-2H3,(H2,17,21)/t13-/m0/s1
InChIKeyDEOWHOJBXXLFAW-ZDUSSCGKSA-N
MW284.36 g/mol
LogP2.03
Rot. Bonds6

About 6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide

6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide (PubChem CID 97325450) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide
PubChem CID97325450
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide
SMILESCC[C@@H](Cc1ccccc1)N(C)c1ccc(C(N)=O)nn1
InChIInChI=1S/C16H20N4O/c1-3-13(11-12-7-5-4-6-8-12)20(2)15-10-9-14(16(17)21)18-19-15/h4-10,13H,3,11H2,1-2H3,(H2,17,21)/t13-/m0/s1
InChIKeyDEOWHOJBXXLFAW-ZDUSSCGKSA-N
XLogP2.03
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide (CID 97325450) is 6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide is CC[C@@H](Cc1ccccc1)N(C)c1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide?
The InChIKey is DEOWHOJBXXLFAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-13(11-12-7-5-4-6-8-12)20(2)15-10-9-14(16(17)21)18-19-15/h4-10,13H,3,11H2,1-2H3,(H2,17,21)/t13-/m0/s1.
What are the key properties of 6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide?
6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 97325450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).