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

C18H29N5O2 — CID 70742178

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCN3CCCCC3)C2)cc1=O
InChIInChI=1S/C18H29N5O2/c1-21-18(25)11-16(13-20-21)23-10-5-15(14-23)12-19-17(24)6-9-22-7-3-2-4-8-22/h11,13,15H,2-10,12,14H2,1H3,(H,19,24)
InChIKeyFXWYIKSYOMUROT-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.60
Rot. Bonds6

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

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide (PubChem CID 70742178) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide
PubChem CID70742178
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide
SMILESCn1ncc(N2CCC(CNC(=O)CCN3CCCCC3)C2)cc1=O
InChIInChI=1S/C18H29N5O2/c1-21-18(25)11-16(13-20-21)23-10-5-15(14-23)12-19-17(24)6-9-22-7-3-2-4-8-22/h11,13,15H,2-10,12,14H2,1H3,(H,19,24)
InChIKeyFXWYIKSYOMUROT-UHFFFAOYSA-N
XLogP0.60
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-({[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}amino)piperidine-1-carboxylate
CID 45232508
2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
N-cyclopropyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202100
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide (CID 70742178) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide is Cn1ncc(N2CCC(CNC(=O)CCN3CCCCC3)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide?
The InChIKey is FXWYIKSYOMUROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21-18(25)11-16(13-20-21)23-10-5-15(14-23)12-19-17(24)6-9-22-7-3-2-4-8-22/h11,13,15H,2-10,12,14H2,1H3,(H,19,24).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-piperidin-1-ylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 0.60, 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-piperidin-1-ylpropanamide is sourced from PubChem (CID 70742178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).