N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C26H23N3O3 — CID 51941646

IUPACN-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCOc1ccc([C@@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O3/c1-2-32-22-15-13-20(14-16-22)25(19-9-5-3-6-10-19)27-26(31)23-17-18-24(30)29(28-23)21-11-7-4-8-12-21/h3-18,25H,2H2,1H3,(H,27,31)/t25-/m0/s1
InChIKeyNNDBVRGJHBSHFY-VWLOTQADSA-N
MW425.49 g/mol
LogP4.15
Rot. Bonds7

About N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 51941646) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID51941646
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCOc1ccc([C@@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O3/c1-2-32-22-15-13-20(14-16-22)25(19-9-5-3-6-10-19)27-26(31)23-17-18-24(30)29(28-23)21-11-7-4-8-12-21/h3-18,25H,2H2,1H3,(H,27,31)/t25-/m0/s1
InChIKeyNNDBVRGJHBSHFY-VWLOTQADSA-N
XLogP4.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55659392
N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55581751
N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55657959
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050431
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113
N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31890180
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 120653747

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 51941646) is N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide is CCOc1ccc([C@@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c2ccccc2)cc1.
What is the InChIKey of N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is NNDBVRGJHBSHFY-VWLOTQADSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-2-32-22-15-13-20(14-16-22)25(19-9-5-3-6-10-19)27-26(31)23-17-18-24(30)29(28-23)21-11-7-4-8-12-21/h3-18,25H,2H2,1H3,(H,27,31)/t25-/m0/s1.
What are the key properties of N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 51941646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).