N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide

C18H27N5O3 — CID 70739487

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCN3CCCCC3=O)C2)cc1=O
InChIInChI=1S/C18H27N5O3/c1-21-18(26)10-15(12-20-21)23-8-5-14(13-23)11-19-16(24)6-9-22-7-3-2-4-17(22)25/h10,12,14H,2-9,11,13H2,1H3,(H,19,24)
InChIKeyYOTUJQDTNJDPDN-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.13
Rot. Bonds6

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide (PubChem CID 70739487) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide
PubChem CID70739487
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCN3CCCCC3=O)C2)cc1=O
InChIInChI=1S/C18H27N5O3/c1-21-18(26)10-15(12-20-21)23-8-5-14(13-23)11-19-16(24)6-9-22-7-3-2-4-17(22)25/h10,12,14H,2-9,11,13H2,1H3,(H,19,24)
InChIKeyYOTUJQDTNJDPDN-UHFFFAOYSA-N
XLogP0.13
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(2-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide (CID 70739487) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide is Cn1ncc(N2CCC(CNC(=O)CCN3CCCCC3=O)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide?
The InChIKey is YOTUJQDTNJDPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-21-18(26)10-15(12-20-21)23-8-5-14(13-23)11-19-16(24)6-9-22-7-3-2-4-17(22)25/h10,12,14H,2-9,11,13H2,1H3,(H,19,24).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(2-oxopiperidin-1-yl)propanamide has a molecular weight of 361.45 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 70739487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).