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

C16H19FN4O2 — CID 128972811

IUPACN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide
SMILESO=C(CCc1ccoc1)NC[C@@H]1C[C@H](F)CN1c1cccnn1
InChIInChI=1S/C16H19FN4O2/c17-13-8-14(21(10-13)15-2-1-6-19-20-15)9-18-16(22)4-3-12-5-7-23-11-12/h1-2,5-7,11,13-14H,3-4,8-10H2,(H,18,22)/t13-,14-/m0/s1
InChIKeyWRUAPXQMQMCHGG-KBPBESRZSA-N
MW318.35 g/mol
LogP1.74
Rot. Bonds6

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

N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide (PubChem CID 128972811) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide
PubChem CID128972811
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide
SMILESO=C(CCc1ccoc1)NC[C@@H]1C[C@H](F)CN1c1cccnn1
InChIInChI=1S/C16H19FN4O2/c17-13-8-14(21(10-13)15-2-1-6-19-20-15)9-18-16(22)4-3-12-5-7-23-11-12/h1-2,5-7,11,13-14H,3-4,8-10H2,(H,18,22)/t13-,14-/m0/s1
InChIKeyWRUAPXQMQMCHGG-KBPBESRZSA-N
XLogP1.74
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide
CID 128993928
(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide
CID 129346080
N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 128973573
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide
CID 128991326
N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 128971208
N-(1-benzofuran-3-ylmethyl)-1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 128972201
1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 128972211
(3S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thian-3-amine
CID 129340407
7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide
CID 119890433
2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 119890443
3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
CID 96504030
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 128990795

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide (CID 128972811) is N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide is O=C(CCc1ccoc1)NC[C@@H]1C[C@H](F)CN1c1cccnn1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide?
The InChIKey is WRUAPXQMQMCHGG-KBPBESRZSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-13-8-14(21(10-13)15-2-1-6-19-20-15)9-18-16(22)4-3-12-5-7-23-11-12/h1-2,5-7,11,13-14H,3-4,8-10H2,(H,18,22)/t13-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide?
N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide has a molecular weight of 318.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 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-3-yl)propanamide is sourced from PubChem (CID 128972811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).