(2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide

C19H24N4O2 — CID 96504011

IUPAC(2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)NC[C@H]2CCCN2c2cccnn2)c1
InChIInChI=1S/C19H24N4O2/c1-14-6-3-8-17(12-14)25-15(2)19(24)20-13-16-7-5-11-23(16)18-9-4-10-21-22-18/h3-4,6,8-10,12,15-16H,5,7,11,13H2,1-2H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyVORKHEQMWHEVJD-HZPDHXFCSA-N
MW340.43 g/mol
LogP2.34
Rot. Bonds6

About (2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide

(2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide (PubChem CID 96504011) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
PubChem CID96504011
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)NC[C@H]2CCCN2c2cccnn2)c1
InChIInChI=1S/C19H24N4O2/c1-14-6-3-8-17(12-14)25-15(2)19(24)20-13-16-7-5-11-23(16)18-9-4-10-21-22-18/h3-4,6,8-10,12,15-16H,5,7,11,13H2,1-2H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyVORKHEQMWHEVJD-HZPDHXFCSA-N
XLogP2.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(3-methylphenoxy)-3-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95751089
(2S,4S)-2-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120637035
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide
CID 119890433
3-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 119890453
(2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one
CID 129370384
2-(3-methylphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 49215548
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619766
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide (CID 96504011) is (2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide is Cc1cccc(O[C@H](C)C(=O)NC[C@H]2CCCN2c2cccnn2)c1.
What is the InChIKey of (2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide?
The InChIKey is VORKHEQMWHEVJD-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-6-3-8-17(12-14)25-15(2)19(24)20-13-16-7-5-11-23(16)18-9-4-10-21-22-18/h3-4,6,8-10,12,15-16H,5,7,11,13H2,1-2H3,(H,20,24)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide?
(2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 96504011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).