[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C19H23N3O2 — CID 109181814

IUPAC[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(CCNc2ccc(C(=O)N3CCCC3)nc2)c1
InChIInChI=1S/C19H23N3O2/c1-24-17-6-4-5-15(13-17)9-10-20-16-7-8-18(21-14-16)19(23)22-11-2-3-12-22/h4-8,13-14,20H,2-3,9-12H2,1H3
InChIKeyHAFNOGDZFJUZSR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.98
Rot. Bonds6

About [5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone

[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109181814) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109181814
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(CCNc2ccc(C(=O)N3CCCC3)nc2)c1
InChIInChI=1S/C19H23N3O2/c1-24-17-6-4-5-15(13-17)9-10-20-16-7-8-18(21-14-16)19(23)22-11-2-3-12-22/h4-8,13-14,20H,2-3,9-12H2,1H3
InChIKeyHAFNOGDZFJUZSR-UHFFFAOYSA-N
XLogP2.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
azepan-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]methanone
CID 109331013
N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboximidamide
CID 177365516
N-(2,6-difluorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192723
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192679
[5-(3-methoxypropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182537
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109183632
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181240

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109181814) is [5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone is COc1cccc(CCNc2ccc(C(=O)N3CCCC3)nc2)c1.
What is the InChIKey of [5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HAFNOGDZFJUZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-17-6-4-5-15(13-17)9-10-20-16-7-8-18(21-14-16)19(23)22-11-2-3-12-22/h4-8,13-14,20H,2-3,9-12H2,1H3.
What are the key properties of [5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 325.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109181814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).