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

C18H29N5O2 — CID 53202102

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C18H29N5O2/c1-3-22-8-4-5-15(22)12-19-18(25)14-6-9-23(10-7-14)16-11-17(24)21(2)20-13-16/h11,13-15H,3-10,12H2,1-2H3,(H,19,25)
InChIKeyABTGWAIINXTIHW-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.60
Rot. Bonds5

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202102) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202102
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCCN1CCCC1CNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C18H29N5O2/c1-3-22-8-4-5-15(22)12-19-18(25)14-6-9-23(10-7-14)16-11-17(24)21(2)20-13-16/h11,13-15H,3-10,12H2,1-2H3,(H,19,25)
InChIKeyABTGWAIINXTIHW-UHFFFAOYSA-N
XLogP0.60
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (CID 53202102) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is CCN1CCCC1CNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is ABTGWAIINXTIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-22-8-4-5-15(22)12-19-18(25)14-6-9-23(10-7-14)16-11-17(24)21(2)20-13-16/h11,13-15H,3-10,12H2,1-2H3,(H,19,25).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.60, 5 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-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).