N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide

C16H25FN4O3 — CID 70765674

IUPACN-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C16H25FN4O3/c1-16(2,3)7-14(23)18-8-11-6-10(17)9-21(11)15(24)12-4-5-13(22)20-19-12/h10-11H,4-9H2,1-3H3,(H,18,23)(H,20,22)/t10-,11-/m0/s1
InChIKeyQVVJATGEQFJHEB-QWRGUYRKSA-N
MW340.40 g/mol
LogP0.74
Rot. Bonds4

About N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide

N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 70765674) has the molecular formula C16H25FN4O3 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide
PubChem CID70765674
Molecular FormulaC16H25FN4O3
Molecular Weight340.40 g/mol
Exact Mass340.19
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C16H25FN4O3/c1-16(2,3)7-14(23)18-8-11-6-10(17)9-21(11)15(24)12-4-5-13(22)20-19-12/h10-11H,4-9H2,1-3H3,(H,18,23)(H,20,22)/t10-,11-/m0/s1
InChIKeyQVVJATGEQFJHEB-QWRGUYRKSA-N
XLogP0.74
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide (CID 70765674) is N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is QVVJATGEQFJHEB-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H25FN4O3/c1-16(2,3)7-14(23)18-8-11-6-10(17)9-21(11)15(24)12-4-5-13(22)20-19-12/h10-11H,4-9H2,1-3H3,(H,18,23)(H,20,22)/t10-,11-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide?
N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide has a molecular weight of 340.40 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 70765674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).