N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide

C19H25N5O — CID 95600131

IUPACN-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
SMILESC[C@H](NC(=O)CNC[C@H]1CCCN1c1cccnn1)c1ccccc1
InChIInChI=1S/C19H25N5O/c1-15(16-7-3-2-4-8-16)22-19(25)14-20-13-17-9-6-12-24(17)18-10-5-11-21-23-18/h2-5,7-8,10-11,15,17,20H,6,9,12-14H2,1H3,(H,22,25)/t15-,17+/m0/s1
InChIKeyASIRMQAVKVQNMD-DOTOQJQBSA-N
MW339.44 g/mol
LogP1.91
Rot. Bonds7

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

N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide (PubChem CID 95600131) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
PubChem CID95600131
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
SMILESC[C@H](NC(=O)CNC[C@H]1CCCN1c1cccnn1)c1ccccc1
InChIInChI=1S/C19H25N5O/c1-15(16-7-3-2-4-8-16)22-19(25)14-20-13-17-9-6-12-24(17)18-10-5-11-21-23-18/h2-5,7-8,10-11,15,17,20H,6,9,12-14H2,1H3,(H,22,25)/t15-,17+/m0/s1
InChIKeyASIRMQAVKVQNMD-DOTOQJQBSA-N
XLogP1.91
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 97028778
N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide
CID 56778190
N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide
CID 95600251
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
N-methyl-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 95757611
3-piperidin-4-yl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]butanamide
CID 119890481
(1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol
CID 95764540
(2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one
CID 129370384
2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 119890443

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide (CID 95600131) is N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide is C[C@H](NC(=O)CNC[C@H]1CCCN1c1cccnn1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
The InChIKey is ASIRMQAVKVQNMD-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15(16-7-3-2-4-8-16)22-19(25)14-20-13-17-9-6-12-24(17)18-10-5-11-21-23-18/h2-5,7-8,10-11,15,17,20H,6,9,12-14H2,1H3,(H,22,25)/t15-,17+/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide is sourced from PubChem (CID 95600131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).