N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C19H25N3O3 — CID 111115964

IUPACN-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C19H25N3O3/c1-4-14(5-2)17(24)12-20-19(25)18-16(23)11-13(3)22(21-18)15-9-7-6-8-10-15/h6-11,14,17,24H,4-5,12H2,1-3H3,(H,20,25)
InChIKeyDCLANNQAFZLVRZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.07
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 111115964) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID111115964
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C19H25N3O3/c1-4-14(5-2)17(24)12-20-19(25)18-16(23)11-13(3)22(21-18)15-9-7-6-8-10-15/h6-11,14,17,24H,4-5,12H2,1-3H3,(H,20,25)
InChIKeyDCLANNQAFZLVRZ-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
N-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9090833
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 31218833
N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46522145
N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 52843256
N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 32637086
N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 41278411
N-[2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17448047

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 111115964) is N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is CCC(CC)C(O)CNC(=O)c1nn(-c2ccccc2)c(C)cc1=O.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is DCLANNQAFZLVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-14(5-2)17(24)12-20-19(25)18-16(23)11-13(3)22(21-18)15-9-7-6-8-10-15/h6-11,14,17,24H,4-5,12H2,1-3H3,(H,20,25).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 111115964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).