N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C23H25N3O4 — CID 55653823

IUPACN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2ccc(=O)n(-c3ccccc3)n2)ccc1OC(C)C
InChIInChI=1S/C23H25N3O4/c1-15(2)30-20-12-10-17(14-21(20)29-4)16(3)24-23(28)19-11-13-22(27)26(25-19)18-8-6-5-7-9-18/h5-16H,1-4H3,(H,24,28)
InChIKeyMJWLXQYPOOZOPD-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.52
Rot. Bonds7

About N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 55653823) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID55653823
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2ccc(=O)n(-c3ccccc3)n2)ccc1OC(C)C
InChIInChI=1S/C23H25N3O4/c1-15(2)30-20-12-10-17(14-21(20)29-4)16(3)24-23(28)19-11-13-22(27)26(25-19)18-8-6-5-7-9-18/h5-16H,1-4H3,(H,24,28)
InChIKeyMJWLXQYPOOZOPD-UHFFFAOYSA-N
XLogP3.52
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea
CID 51728018
N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 167473447
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55671575
N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55581751
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55824439
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 166184194
N-[3-chloro-4-(2-methylpropoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 37401680
6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 84580916

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 55653823) is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide is COc1cc(C(C)NC(=O)c2ccc(=O)n(-c3ccccc3)n2)ccc1OC(C)C.
What is the InChIKey of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is MJWLXQYPOOZOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(2)30-20-12-10-17(14-21(20)29-4)16(3)24-23(28)19-11-13-22(27)26(25-19)18-8-6-5-7-9-18/h5-16H,1-4H3,(H,24,28).
What are the key properties of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 55653823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).