3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide

C18H29N5O — CID 119890481

IUPAC3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide
SMILESCC(CC(=O)NCC1CCCN1c1cccnn1)C1CCNCC1
InChIInChI=1S/C18H29N5O/c1-14(15-6-9-19-10-7-15)12-18(24)20-13-16-4-3-11-23(16)17-5-2-8-21-22-17/h2,5,8,14-16,19H,3-4,6-7,9-13H2,1H3,(H,20,24)
InChIKeyVMGVBWOGMXEEKL-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.59
Rot. Bonds6

About 3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide

3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide (PubChem CID 119890481) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide
PubChem CID119890481
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide
SMILESCC(CC(=O)NCC1CCCN1c1cccnn1)C1CCNCC1
InChIInChI=1S/C18H29N5O/c1-14(15-6-9-19-10-7-15)12-18(24)20-13-16-4-3-11-23(16)17-5-2-8-21-22-17/h2,5,8,14-16,19H,3-4,6-7,9-13H2,1H3,(H,20,24)
InChIKeyVMGVBWOGMXEEKL-UHFFFAOYSA-N
XLogP1.59
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 119890443
7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide
CID 119890433
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
(2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
CID 96504011
3-indol-1-yl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
CID 96504030
2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95764484
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
3-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 119890453
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
N-[(1-butylpiperidin-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119866856
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide
CID 95764501

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide (CID 119890481) is 3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide is CC(CC(=O)NCC1CCCN1c1cccnn1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide?
The InChIKey is VMGVBWOGMXEEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14(15-6-9-19-10-7-15)12-18(24)20-13-16-4-3-11-23(16)17-5-2-8-21-22-17/h2,5,8,14-16,19H,3-4,6-7,9-13H2,1H3,(H,20,24).
What are the key properties of 3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide?
3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide has a molecular weight of 331.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide is sourced from PubChem (CID 119890481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).