(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide

C18H28N4O3 — CID 129461973

IUPAC(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide
SMILESCCCn1nc2c(cc1=O)CN([C@@H](C)C(=O)NC[C@H]1CCCO1)CC2
InChIInChI=1S/C18H28N4O3/c1-3-7-22-17(23)10-14-12-21(8-6-16(14)20-22)13(2)18(24)19-11-15-5-4-9-25-15/h10,13,15H,3-9,11-12H2,1-2H3,(H,19,24)/t13-,15+/m0/s1
InChIKeyRHOHGAGWGNDQOM-DZGCQCFKSA-N
MW348.45 g/mol
LogP0.70
Rot. Bonds6

About (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide

(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide (PubChem CID 129461973) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide
PubChem CID129461973
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide
SMILESCCCn1nc2c(cc1=O)CN([C@@H](C)C(=O)NC[C@H]1CCCO1)CC2
InChIInChI=1S/C18H28N4O3/c1-3-7-22-17(23)10-14-12-21(8-6-16(14)20-22)13(2)18(24)19-11-15-5-4-9-25-15/h10,13,15H,3-9,11-12H2,1-2H3,(H,19,24)/t13-,15+/m0/s1
InChIKeyRHOHGAGWGNDQOM-DZGCQCFKSA-N
XLogP0.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide with MolForge

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Related Compounds

(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95758684
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
4-[2-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)ethyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 126915209
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
(2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
CID 95781739
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95280712
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124621251
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 776917
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 128592950
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3128939
(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30625134

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide?
The IUPAC name of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide (CID 129461973) is (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide.
What is the SMILES notation for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide?
The canonical SMILES for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide is CCCn1nc2c(cc1=O)CN([C@@H](C)C(=O)NC[C@H]1CCCO1)CC2.
What is the InChIKey of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide?
The InChIKey is RHOHGAGWGNDQOM-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-7-22-17(23)10-14-12-21(8-6-16(14)20-22)13(2)18(24)19-11-15-5-4-9-25-15/h10,13,15H,3-9,11-12H2,1-2H3,(H,19,24)/t13-,15+/m0/s1.
What are the key properties of (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide?
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide is sourced from PubChem (CID 129461973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).