N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide

C17H21N3O3 — CID 110886514

IUPACN-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CCO)Cc2ccccc2)ccc1=O
InChIInChI=1S/C17H21N3O3/c1-2-10-20-16(22)9-8-15(18-20)17(23)19(11-12-21)13-14-6-4-3-5-7-14/h3-9,21H,2,10-13H2,1H3
InChIKeyOOTACMDUJBTZRR-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.29
Rot. Bonds7

About N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 110886514) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID110886514
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CCO)Cc2ccccc2)ccc1=O
InChIInChI=1S/C17H21N3O3/c1-2-10-20-16(22)9-8-15(18-20)17(23)19(11-12-21)13-14-6-4-3-5-7-14/h3-9,21H,2,10-13H2,1H3
InChIKeyOOTACMDUJBTZRR-UHFFFAOYSA-N
XLogP1.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 34907261
2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 63651920
N-ethyl-6-oxo-N-phenyl-1-propylpyridazine-3-carboxamide
CID 42162108
N-cyclopentyl-6-oxo-N-(2-phenylethyl)-1-propylpyridazine-3-carboxamide
CID 52574448
N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide
CID 55332644
N-(2-methoxyethyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propylpyridazine-3-carboxamide
CID 135877367
2-[cyclopropylmethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 43655583
2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 62818484
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706
1-butyl-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 55981672
N-[(3-ethoxy-4-propoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)-N-propylpyridazine-3-carboxamide
CID 55429841
N-ethyl-N-(3-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 115771207

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 110886514) is N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(CCO)Cc2ccccc2)ccc1=O.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is OOTACMDUJBTZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-10-20-16(22)9-8-15(18-20)17(23)19(11-12-21)13-14-6-4-3-5-7-14/h3-9,21H,2,10-13H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 110886514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).