N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide

C18H30N6O — CID 97028778

IUPACN-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
SMILESCCN1CCC(NC(=O)CNC[C@H]2CCCN2c2cccnn2)CC1
InChIInChI=1S/C18H30N6O/c1-2-23-11-7-15(8-12-23)21-18(25)14-19-13-16-5-4-10-24(16)17-6-3-9-20-22-17/h3,6,9,15-16,19H,2,4-5,7-8,10-14H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyWTFDIWRNGKNGQL-MRXNPFEDSA-N
MW346.48 g/mol
LogP0.64
Rot. Bonds7

About N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide

N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide (PubChem CID 97028778) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
PubChem CID97028778
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
SMILESCCN1CCC(NC(=O)CNC[C@H]2CCCN2c2cccnn2)CC1
InChIInChI=1S/C18H30N6O/c1-2-23-11-7-15(8-12-23)21-18(25)14-19-13-16-5-4-10-24(16)17-6-3-9-20-22-17/h3,6,9,15-16,19H,2,4-5,7-8,10-14H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyWTFDIWRNGKNGQL-MRXNPFEDSA-N
XLogP0.64
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide with MolForge

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Related Compounds

N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 95764485
2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95764484
N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide
CID 56778190
N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 95757611
2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 119890443
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
2-(cyclopropylmethylamino)-N-(1-ethylpiperidin-4-yl)acetamide
CID 54917428
7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide
CID 119890433
N-[(4-methylsulfonylphenyl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95610651

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide (CID 97028778) is N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide is CCN1CCC(NC(=O)CNC[C@H]2CCCN2c2cccnn2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
The InChIKey is WTFDIWRNGKNGQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N6O/c1-2-23-11-7-15(8-12-23)21-18(25)14-19-13-16-5-4-10-24(16)17-6-3-9-20-22-17/h3,6,9,15-16,19H,2,4-5,7-8,10-14H2,1H3,(H,21,25)/t16-/m1/s1.
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide has a molecular weight of 346.48 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide is sourced from PubChem (CID 97028778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).