[2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C20H23N3O2 — CID 47085761

IUPAC[2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccnc(NC3CC3)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-25-17-8-4-14(5-9-17)18-3-2-12-23(18)20(24)15-10-11-21-19(13-15)22-16-6-7-16/h4-5,8-11,13,16,18H,2-3,6-7,12H2,1H3,(H,21,22)
InChIKeySTMCTAUPYIJYFR-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.64
Rot. Bonds5

About [2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

[2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 47085761) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID47085761
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccnc(NC3CC3)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-25-17-8-4-14(5-9-17)18-3-2-12-23(18)20(24)15-10-11-21-19(13-15)22-16-6-7-16/h4-5,8-11,13,16,18H,2-3,6-7,12H2,1H3,(H,21,22)
InChIKeySTMCTAUPYIJYFR-UHFFFAOYSA-N
XLogP3.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 47085761) is [2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCCN2C(=O)c2ccnc(NC3CC3)c2)cc1.
What is the InChIKey of [2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is STMCTAUPYIJYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-17-8-4-14(5-9-17)18-3-2-12-23(18)20(24)15-10-11-21-19(13-15)22-16-6-7-16/h4-5,8-11,13,16,18H,2-3,6-7,12H2,1H3,(H,21,22).
What are the key properties of [2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
[2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-4-pyridinyl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 47085761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).