N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide

C17H21FN4O2 — CID 128971208

IUPACN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide
SMILESCN(C[C@@H]1C[C@H](F)CN1c1cccnn1)C(=O)CCc1ccco1
InChIInChI=1S/C17H21FN4O2/c1-21(17(23)7-6-15-4-3-9-24-15)12-14-10-13(18)11-22(14)16-5-2-8-19-20-16/h2-5,8-9,13-14H,6-7,10-12H2,1H3/t13-,14-/m0/s1
InChIKeyBHOVRXHTDIBMEI-KBPBESRZSA-N
MW332.38 g/mol
LogP2.08
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide

N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide (PubChem CID 128971208) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide
PubChem CID128971208
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide
SMILESCN(C[C@@H]1C[C@H](F)CN1c1cccnn1)C(=O)CCc1ccco1
InChIInChI=1S/C17H21FN4O2/c1-21(17(23)7-6-15-4-3-9-24-15)12-14-10-13(18)11-22(14)16-5-2-8-19-20-16/h2-5,8-9,13-14H,6-7,10-12H2,1H3/t13-,14-/m0/s1
InChIKeyBHOVRXHTDIBMEI-KBPBESRZSA-N
XLogP2.08
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide (CID 128971208) is N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide is CN(C[C@@H]1C[C@H](F)CN1c1cccnn1)C(=O)CCc1ccco1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide?
The InChIKey is BHOVRXHTDIBMEI-KBPBESRZSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-21(17(23)7-6-15-4-3-9-24-15)12-14-10-13(18)11-22(14)16-5-2-8-19-20-16/h2-5,8-9,13-14H,6-7,10-12H2,1H3/t13-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide?
N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide has a molecular weight of 332.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 128971208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).