4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one

C14H21N3O2 — CID 168659174

IUPAC4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one
SMILESCC(C)Oc1cc(CN2CC(CN)CC2=O)ccn1
InChIInChI=1S/C14H21N3O2/c1-10(2)19-13-5-11(3-4-16-13)8-17-9-12(7-15)6-14(17)18/h3-5,10,12H,6-9,15H2,1-2H3
InChIKeyZOPQYENCASXPET-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.18
Rot. Bonds5

About 4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one

4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 168659174) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID168659174
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one
SMILESCC(C)Oc1cc(CN2CC(CN)CC2=O)ccn1
InChIInChI=1S/C14H21N3O2/c1-10(2)19-13-5-11(3-4-16-13)8-17-9-12(7-15)6-14(17)18/h3-5,10,12H,6-9,15H2,1-2H3
InChIKeyZOPQYENCASXPET-UHFFFAOYSA-N
XLogP1.18
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 168659646
4-(aminomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168660327
4-(aminomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168660316
[5-oxo-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672695
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465
4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
CID 114256587
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine
CID 69013905
5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168696080
1-[(3-propan-2-yloxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708071
4-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 104511923

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one (CID 168659174) is 4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one is CC(C)Oc1cc(CN2CC(CN)CC2=O)ccn1.
What is the InChIKey of 4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is ZOPQYENCASXPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)19-13-5-11(3-4-16-13)8-17-9-12(7-15)6-14(17)18/h3-5,10,12H,6-9,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168659174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).