N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C22H21N3O2 — CID 167473447

IUPACN-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1cccc(C2CC2)c1
InChIInChI=1S/C22H21N3O2/c1-15(17-6-5-7-18(14-17)16-10-11-16)23-22(27)20-12-13-21(26)25(24-20)19-8-3-2-4-9-19/h2-9,12-16H,10-11H2,1H3,(H,23,27)/t15-/m1/s1
InChIKeyZYBGYKWKTOXIMF-OAHLLOKOSA-N
MW359.43 g/mol
LogP3.60
Rot. Bonds5

About N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 167473447) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID167473447
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1cccc(C2CC2)c1
InChIInChI=1S/C22H21N3O2/c1-15(17-6-5-7-18(14-17)16-10-11-16)23-22(27)20-12-13-21(26)25(24-20)19-8-3-2-4-9-19/h2-9,12-16H,10-11H2,1H3,(H,23,27)/t15-/m1/s1
InChIKeyZYBGYKWKTOXIMF-OAHLLOKOSA-N
XLogP3.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55653823
N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55581751
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 99817467
3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide
CID 18270656
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51941646
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51949577
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 167473447) is N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide is C[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2)n1)c1cccc(C2CC2)c1.
What is the InChIKey of N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is ZYBGYKWKTOXIMF-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15(17-6-5-7-18(14-17)16-10-11-16)23-22(27)20-12-13-21(26)25(24-20)19-8-3-2-4-9-19/h2-9,12-16H,10-11H2,1H3,(H,23,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 167473447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).