N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide

C17H27N5O3 — CID 133112436

IUPACN-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide
SMILESCCC[C@@H]1CN(CC(=O)NC)C[C@H]1NC(=O)Cn1nc(C)ccc1=O
InChIInChI=1S/C17H27N5O3/c1-4-5-13-8-21(10-15(23)18-3)9-14(13)19-16(24)11-22-17(25)7-6-12(2)20-22/h6-7,13-14H,4-5,8-11H2,1-3H3,(H,18,23)(H,19,24)/t13-,14-/m1/s1
InChIKeyRNCWTOSLVDOBNF-ZIAGYGMSSA-N
MW349.44 g/mol
LogP-0.49
Rot. Bonds7

About N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide

N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide (PubChem CID 133112436) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide
PubChem CID133112436
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide
SMILESCCC[C@@H]1CN(CC(=O)NC)C[C@H]1NC(=O)Cn1nc(C)ccc1=O
InChIInChI=1S/C17H27N5O3/c1-4-5-13-8-21(10-15(23)18-3)9-14(13)19-16(24)11-22-17(25)7-6-12(2)20-22/h6-7,13-14H,4-5,8-11H2,1-3H3,(H,18,23)(H,19,24)/t13-,14-/m1/s1
InChIKeyRNCWTOSLVDOBNF-ZIAGYGMSSA-N
XLogP-0.49
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide (CID 133112436) is N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide is CCC[C@@H]1CN(CC(=O)NC)C[C@H]1NC(=O)Cn1nc(C)ccc1=O.
What is the InChIKey of N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide?
The InChIKey is RNCWTOSLVDOBNF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-4-5-13-8-21(10-15(23)18-3)9-14(13)19-16(24)11-22-17(25)7-6-12(2)20-22/h6-7,13-14H,4-5,8-11H2,1-3H3,(H,18,23)(H,19,24)/t13-,14-/m1/s1.
What are the key properties of N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide?
N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of -0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3S,4R)-3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-4-propylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 133112436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).