1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide

C54H66F9N15O9 — CID 162174238

IUPAC1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCC(C)(C)OC(=O)Nc1ccc(CN)cn1.CC(C)(C)OC(=O)Nc1ccc(CNC(=O)C(F)(F)F)cn1.NCc1ccc(N2CCCC2=O)nc1.Nc1ccc(CNC(=O)C(F)(F)F)cn1.O=C1CCCN1c1ccc(CNC(=O)C(F)(F)F)cn1
InChIInChI=1S/C13H16F3N3O3.C12H12F3N3O2.C11H17N3O2.C10H13N3O.C8H8F3N3O/c1-12(2,3)22-11(21)19-9-5-4-8(6-17-9)7-18-10(20)13(14,15)16;13-12(14,15)11(20)17-7-8-3-4-9(16-6-8)18-5-1-2-10(18)19;1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9;11-6-8-3-4-9(12-7-8)13-5-1-2-10(13)14;9-8(10,11)7(15)14-4-5-1-2-6(12)13-3-5/h4-6H,7H2,1-3H3,(H,18,20)(H,17,19,21);3-4,6H,1-2,5,7H2,(H,17,20);4-5,7H,6,12H2,1-3H3,(H,13,14,15);3-4,7H,1-2,5-6,11H2;1-3H,4H2,(H2,12,13)(H,14,15)
InChIKeyZOEHHDMTOSNGDS-UHFFFAOYSA-N
MW1240.20 g/mol
LogP7.39
Rot. Bonds12

About 1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide

1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 162174238) has the molecular formula C54H66F9N15O9 and a molecular weight of 1240.20 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID162174238
Molecular FormulaC54H66F9N15O9
Molecular Weight1240.20 g/mol
Exact Mass1239.50
IUPAC Name1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCC(C)(C)OC(=O)Nc1ccc(CN)cn1.CC(C)(C)OC(=O)Nc1ccc(CNC(=O)C(F)(F)F)cn1.NCc1ccc(N2CCCC2=O)nc1.Nc1ccc(CNC(=O)C(F)(F)F)cn1.O=C1CCCN1c1ccc(CNC(=O)C(F)(F)F)cn1
InChIInChI=1S/C13H16F3N3O3.C12H12F3N3O2.C11H17N3O2.C10H13N3O.C8H8F3N3O/c1-12(2,3)22-11(21)19-9-5-4-8(6-17-9)7-18-10(20)13(14,15)16;13-12(14,15)11(20)17-7-8-3-4-9(16-6-8)18-5-1-2-10(18)19;1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9;11-6-8-3-4-9(12-7-8)13-5-1-2-10(13)14;9-8(10,11)7(15)14-4-5-1-2-6(12)13-3-5/h4-6H,7H2,1-3H3,(H,18,20)(H,17,19,21);3-4,6H,1-2,5,7H2,(H,17,20);4-5,7H,6,12H2,1-3H3,(H,13,14,15);3-4,7H,1-2,5-6,11H2;1-3H,4H2,(H2,12,13)(H,14,15)
InChIKeyZOEHHDMTOSNGDS-UHFFFAOYSA-N
XLogP7.39
TPSA347.09 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001240.20
LogP ≤ 57.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide (CID 162174238) is 1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide is CC(C)(C)OC(=O)Nc1ccc(CN)cn1.CC(C)(C)OC(=O)Nc1ccc(CNC(=O)C(F)(F)F)cn1.NCc1ccc(N2CCCC2=O)nc1.Nc1ccc(CNC(=O)C(F)(F)F)cn1.O=C1CCCN1c1ccc(CNC(=O)C(F)(F)F)cn1.
What is the InChIKey of 1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is ZOEHHDMTOSNGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3.C12H12F3N3O2.C11H17N3O2.C10H13N3O.C8H8F3N3O/c1-12(2,3)22-11(21)19-9-5-4-8(6-17-9)7-18-10(20)13(14,15)16;13-12(14,15)11(20)17-7-8-3-4-9(16-6-8)18-5-1-2-10(18)19;1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9;11-6-8-3-4-9(12-7-8)13-5-1-2-10(13)14;9-8(10,11)7(15)14-4-5-1-2-6(12)13-3-5/h4-6H,7H2,1-3H3,(H,18,20)(H,17,19,21);3-4,6H,1-2,5,7H2,(H,17,20);4-5,7H,6,12H2,1-3H3,(H,13,14,15);3-4,7H,1-2,5-6,11H2;1-3H,4H2,(H2,12,13)(H,14,15).
What are the key properties of 1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide?
1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 1240.20 g/mol, XLogP of 7.39, 12 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-pyridinyl]pyrrolidin-2-one;N-[(6-amino-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;tert-butyl N-[5-(aminomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[[(2,2,2-trifluoroacetyl)amino]methyl]-2-pyridinyl]carbamate;2,2,2-trifluoro-N-[[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 162174238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).