N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide

C19H25N5O — CID 95600155

IUPACN-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
SMILESCc1ccccc1CNC(=O)CNC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C19H25N5O/c1-15-6-2-3-7-16(15)12-21-19(25)14-20-13-17-8-5-11-24(17)18-9-4-10-22-23-18/h2-4,6-7,9-10,17,20H,5,8,11-14H2,1H3,(H,21,25)/t17-/m0/s1
InChIKeyCJOFALSPVUHRCU-KRWDZBQOSA-N
MW339.44 g/mol
LogP1.66
Rot. Bonds7

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

N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide (PubChem CID 95600155) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
PubChem CID95600155
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
SMILESCc1ccccc1CNC(=O)CNC[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C19H25N5O/c1-15-6-2-3-7-16(15)12-21-19(25)14-20-13-17-8-5-11-24(17)18-9-4-10-22-23-18/h2-4,6-7,9-10,17,20H,5,8,11-14H2,1H3,(H,21,25)/t17-/m0/s1
InChIKeyCJOFALSPVUHRCU-KRWDZBQOSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95764484
2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 95764485
N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide
CID 56778190
N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 97028778
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 119890443
N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-1-benzothiophene-3-carboxamide
CID 124885406
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
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-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide (CID 95600155) is N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide is Cc1ccccc1CNC(=O)CNC[C@@H]1CCCN1c1cccnn1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
The InChIKey is CJOFALSPVUHRCU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-6-2-3-7-16(15)12-21-19(25)14-20-13-17-8-5-11-24(17)18-9-4-10-22-23-18/h2-4,6-7,9-10,17,20H,5,8,11-14H2,1H3,(H,21,25)/t17-/m0/s1.
What are the key properties of N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide?
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide is sourced from PubChem (CID 95600155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).