[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide

C21H31FN4OS — CID 162430353

IUPAC[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide
SMILESCc1ccc(C(C)(C)N2CCC(CN)(CCc3ccc(F)s3)C2)cn1.NC=O
InChIInChI=1S/C20H28FN3S.CH3NO/c1-15-4-5-16(12-23-15)19(2,3)24-11-10-20(13-22,14-24)9-8-17-6-7-18(21)25-17;2-1-3/h4-7,12H,8-11,13-14,22H2,1-3H3;1H,(H2,2,3)
InChIKeyUHXSLRZXEREUBG-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.21
Rot. Bonds6

About [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide

[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide (PubChem CID 162430353) has the molecular formula C21H31FN4OS and a molecular weight of 406.57 g/mol. Its IUPAC name is [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide.

Molecular Properties

Compound Name[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide
PubChem CID162430353
Molecular FormulaC21H31FN4OS
Molecular Weight406.57 g/mol
Exact Mass406.22
IUPAC Name[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide
SMILESCc1ccc(C(C)(C)N2CCC(CN)(CCc3ccc(F)s3)C2)cn1.NC=O
InChIInChI=1S/C20H28FN3S.CH3NO/c1-15-4-5-16(12-23-15)19(2,3)24-11-10-20(13-22,14-24)9-8-17-6-7-18(21)25-17;2-1-3/h4-7,12H,8-11,13-14,22H2,1-3H3;1H,(H2,2,3)
InChIKeyUHXSLRZXEREUBG-UHFFFAOYSA-N
XLogP3.21
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide?
The IUPAC name of [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide (CID 162430353) is [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide.
What is the SMILES notation for [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide?
The canonical SMILES for [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide is Cc1ccc(C(C)(C)N2CCC(CN)(CCc3ccc(F)s3)C2)cn1.NC=O.
What is the InChIKey of [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide?
The InChIKey is UHXSLRZXEREUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3S.CH3NO/c1-15-4-5-16(12-23-15)19(2,3)24-11-10-20(13-22,14-24)9-8-17-6-7-18(21)25-17;2-1-3/h4-7,12H,8-11,13-14,22H2,1-3H3;1H,(H2,2,3).
What are the key properties of [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide?
[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide has a molecular weight of 406.57 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methanamine;formamide is sourced from PubChem (CID 162430353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).