2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

C25H24FN5OS — CID 67101560

IUPAC2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNCc1ccsc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C25H24FN5OS/c26-19-5-1-3-16(13-19)8-11-30-25-20(22(24(28)32)18-4-2-10-29-15-18)6-7-21(31-25)23-17(14-27)9-12-33-23/h1-7,9-10,12-13,15,22H,8,11,14,27H2,(H2,28,32)(H,30,31)
InChIKeyCXLAYHHXOYIREZ-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.07
Rot. Bonds9

About 2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101560) has the molecular formula C25H24FN5OS and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101560
Molecular FormulaC25H24FN5OS
Molecular Weight461.57 g/mol
Exact Mass461.17
IUPAC Name2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNCc1ccsc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C25H24FN5OS/c26-19-5-1-3-16(13-19)8-11-30-25-20(22(24(28)32)18-4-2-10-29-15-18)6-7-21(31-25)23-17(14-27)9-12-33-23/h1-7,9-10,12-13,15,22H,8,11,14,27H2,(H2,28,32)(H,30,31)
InChIKeyCXLAYHHXOYIREZ-UHFFFAOYSA-N
XLogP4.07
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101560) is 2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is NCc1ccsc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1.
What is the InChIKey of 2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is CXLAYHHXOYIREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5OS/c26-19-5-1-3-16(13-19)8-11-30-25-20(22(24(28)32)18-4-2-10-29-15-18)6-7-21(31-25)23-17(14-27)9-12-33-23/h1-7,9-10,12-13,15,22H,8,11,14,27H2,(H2,28,32)(H,30,31).
What are the key properties of 2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 461.57 g/mol, XLogP of 4.07, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(aminomethyl)thiophen-2-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).