N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide

C17H27N5O3 — CID 70728730

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCN3CCOCC3)C2)cc1=O
InChIInChI=1S/C17H27N5O3/c1-20-17(24)10-15(12-19-20)22-5-2-14(13-22)11-18-16(23)3-4-21-6-8-25-9-7-21/h10,12,14H,2-9,11,13H2,1H3,(H,18,23)
InChIKeySDAJHMVQVWGGHM-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.55
Rot. Bonds6

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide (PubChem CID 70728730) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide
PubChem CID70728730
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCN3CCOCC3)C2)cc1=O
InChIInChI=1S/C17H27N5O3/c1-20-17(24)10-15(12-19-20)22-5-2-14(13-22)11-18-16(23)3-4-21-6-8-25-9-7-21/h10,12,14H,2-9,11,13H2,1H3,(H,18,23)
InChIKeySDAJHMVQVWGGHM-UHFFFAOYSA-N
XLogP-0.55
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide (CID 70728730) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide is Cn1ncc(N2CCC(CNC(=O)CCN3CCOCC3)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide?
The InChIKey is SDAJHMVQVWGGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-20-17(24)10-15(12-19-20)22-5-2-14(13-22)11-18-16(23)3-4-21-6-8-25-9-7-21/h10,12,14H,2-9,11,13H2,1H3,(H,18,23).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide has a molecular weight of 349.44 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 70728730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).