N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide

C18H23N3O5 — CID 55654282

IUPACN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(O)c2cc(OC)ccc2OC)ccc1=O
InChIInChI=1S/C18H23N3O5/c1-4-9-21-17(23)8-6-14(20-21)18(24)19-11-15(22)13-10-12(25-2)5-7-16(13)26-3/h5-8,10,15,22H,4,9,11H2,1-3H3,(H,19,24)
InChIKeyAQAQMFCFWXVFAB-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.13
Rot. Bonds8

About N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 55654282) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID55654282
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(O)c2cc(OC)ccc2OC)ccc1=O
InChIInChI=1S/C18H23N3O5/c1-4-9-21-17(23)8-6-14(20-21)18(24)19-11-15(22)13-10-12(25-2)5-7-16(13)26-3/h5-8,10,15,22H,4,9,11H2,1-3H3,(H,19,24)
InChIKeyAQAQMFCFWXVFAB-UHFFFAOYSA-N
XLogP1.13
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096
N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103771085
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 46440883
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508847
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 111426020
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 95129214
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide
CID 31211747
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 55654282) is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCC(O)c2cc(OC)ccc2OC)ccc1=O.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is AQAQMFCFWXVFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-4-9-21-17(23)8-6-14(20-21)18(24)19-11-15(22)13-10-12(25-2)5-7-16(13)26-3/h5-8,10,15,22H,4,9,11H2,1-3H3,(H,19,24).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 55654282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).