N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

C19H23N3O3 — CID 16884409

IUPACN-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)NCC1CCCO1
InChIInChI=1S/C19H23N3O3/c23-18(20-14-16-8-5-13-25-16)9-4-12-22-19(24)11-10-17(21-22)15-6-2-1-3-7-15/h1-3,6-7,10-11,16H,4-5,8-9,12-14H2,(H,20,23)
InChIKeyQNYFKCILDILTAW-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.99
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (PubChem CID 16884409) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
PubChem CID16884409
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)NCC1CCCO1
InChIInChI=1S/C19H23N3O3/c23-18(20-14-16-8-5-13-25-16)9-4-12-22-19(24)11-10-17(21-22)15-6-2-1-3-7-15/h1-3,6-7,10-11,16H,4-5,8-9,12-14H2,(H,20,23)
InChIKeyQNYFKCILDILTAW-UHFFFAOYSA-N
XLogP1.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 51373175
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)butanamide
CID 16884877
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7663548
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7663555
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7664292
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3224469
N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884425
N-[[(2S)-oxolan-2-yl]methyl]-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 7671768
3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95065889
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7672128
N-(oxolan-2-ylmethyl)-2-(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 46282340

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (CID 16884409) is N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is O=C(CCCn1nc(-c2ccccc2)ccc1=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The InChIKey is QNYFKCILDILTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(20-14-16-8-5-13-25-16)9-4-12-22-19(24)11-10-17(21-22)15-6-2-1-3-7-15/h1-3,6-7,10-11,16H,4-5,8-9,12-14H2,(H,20,23).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide has a molecular weight of 341.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is sourced from PubChem (CID 16884409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).