N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

C20H33N5O2 — CID 53202180

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCC3CCCN3CC)CC2)cc1=O
InChIInChI=1S/C20H33N5O2/c1-3-9-25-19(26)13-18(15-22-25)24-11-7-16(8-12-24)20(27)21-14-17-6-5-10-23(17)4-2/h13,15-17H,3-12,14H2,1-2H3,(H,21,27)
InChIKeyODXXYWWLQVQIJQ-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.47
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202180) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202180
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCC3CCCN3CC)CC2)cc1=O
InChIInChI=1S/C20H33N5O2/c1-3-9-25-19(26)13-18(15-22-25)24-11-7-16(8-12-24)20(27)21-14-17-6-5-10-23(17)4-2/h13,15-17H,3-12,14H2,1-2H3,(H,21,27)
InChIKeyODXXYWWLQVQIJQ-UHFFFAOYSA-N
XLogP1.47
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202180) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCC3CCCN3CC)CC2)cc1=O.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is ODXXYWWLQVQIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-3-9-25-19(26)13-18(15-22-25)24-11-7-16(8-12-24)20(27)21-14-17-6-5-10-23(17)4-2/h13,15-17H,3-12,14H2,1-2H3,(H,21,27).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).