molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide

C16H19N3O — CID 169175957

IUPACmolecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1-c1cccnn1.[H][H]
InChIInChI=1S/C16H17N3O.H2/c1-10-5-6-12(18-16(20)14-8-11(14)2)9-13(10)15-4-3-7-17-19-15;/h3-7,9,11,14H,8H2,1-2H3,(H,18,20);1H/t11-,14-;/m1./s1
InChIKeyUOXIOPCTEXGBBL-GBWFEORMSA-N
MW269.35 g/mol
LogP3.29
Rot. Bonds3

About molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide

molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 169175957) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namemolecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
PubChem CID169175957
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Namemolecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1-c1cccnn1.[H][H]
InChIInChI=1S/C16H17N3O.H2/c1-10-5-6-12(18-16(20)14-8-11(14)2)9-13(10)15-4-3-7-17-19-15;/h3-7,9,11,14H,8H2,1-2H3,(H,18,20);1H/t11-,14-;/m1./s1
InChIKeyUOXIOPCTEXGBBL-GBWFEORMSA-N
XLogP3.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopent-3-ene-1-carboxamide
CID 169175933
6,6-difluoro-N-(4-methyl-3-pyridazin-3-ylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 175945753
1-cyclobutyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide
CID 169177102
N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169175846
(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 176763932
ethane;N-(4-methyl-3-pyridazin-3-ylphenyl)formamide;molecular hydrogen;pyridine
CID 169176012
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide
CID 169176404
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 63333986
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 169177069

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide (CID 169175957) is molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1-c1cccnn1.[H][H].
What is the InChIKey of molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is UOXIOPCTEXGBBL-GBWFEORMSA-N. The full InChI is InChI=1S/C16H17N3O.H2/c1-10-5-6-12(18-16(20)14-8-11(14)2)9-13(10)15-4-3-7-17-19-15;/h3-7,9,11,14H,8H2,1-2H3,(H,18,20);1H/t11-,14-;/m1./s1.
What are the key properties of molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide?
molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;trans-(1R,2R)-2-methyl-N-(4-methyl-3-pyridazin-3-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 169175957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).