[3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone

C19H23N3O2 — CID 53317348

IUPAC[3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC3)c(CN)c(C)n2)cc1
InChIInChI=1S/C19H23N3O2/c1-13-17(12-20)16(19(23)22-9-3-4-10-22)11-18(21-13)14-5-7-15(24-2)8-6-14/h5-8,11H,3-4,9-10,12,20H2,1-2H3
InChIKeyWTSNZDJHPJNNSZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.76
Rot. Bonds4

About [3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone

[3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 53317348) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID53317348
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC3)c(CN)c(C)n2)cc1
InChIInChI=1S/C19H23N3O2/c1-13-17(12-20)16(19(23)22-9-3-4-10-22)11-18(21-13)14-5-7-15(24-2)8-6-14/h5-8,11H,3-4,9-10,12,20H2,1-2H3
InChIKeyWTSNZDJHPJNNSZ-UHFFFAOYSA-N
XLogP2.76
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 53317348) is [3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone is COc1ccc(-c2cc(C(=O)N3CCCC3)c(CN)c(C)n2)cc1.
What is the InChIKey of [3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is WTSNZDJHPJNNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-17(12-20)16(19(23)22-9-3-4-10-22)11-18(21-13)14-5-7-15(24-2)8-6-14/h5-8,11H,3-4,9-10,12,20H2,1-2H3.
What are the key properties of [3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 325.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-6-(4-methoxyphenyl)-2-methyl-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53317348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).