acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

C44H38Cl2F6N16O2 — CID 160634030

IUPACacetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESC.CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.CC(N)=O.FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Cl)c3)c3cccn3n2)n1.Nc1ccnc(Cl)c1
InChIInChI=1S/C19H14F3N7O.C17H10ClF3N6.C5H5ClN2.C2H5NO.CH4/c1-11(30)24-16-10-12(7-8-23-16)25-18-14-5-3-9-29(14)28-17(27-18)13-4-2-6-15(26-13)19(20,21)22;18-14-9-10(6-7-22-14)23-16-12-4-2-8-27(12)26-15(25-16)11-3-1-5-13(24-11)17(19,20)21;6-5-3-4(7)1-2-8-5;1-2(3)4;/h2-10H,1H3,(H2,23,24,25,27,28,30);1-9H,(H,22,23,25,26);1-3H,(H2,7,8);1H3,(H2,3,4);1H4
InChIKeyRIHJZHHTKGEQGV-UHFFFAOYSA-N
MW1007.79 g/mol
LogP9.95
Rot. Bonds7

About acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 160634030) has the molecular formula C44H38Cl2F6N16O2 and a molecular weight of 1007.79 g/mol. Its IUPAC name is acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound Nameacetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID160634030
Molecular FormulaC44H38Cl2F6N16O2
Molecular Weight1007.79 g/mol
Exact Mass1006.26
IUPAC Nameacetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESC.CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.CC(N)=O.FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Cl)c3)c3cccn3n2)n1.Nc1ccnc(Cl)c1
InChIInChI=1S/C19H14F3N7O.C17H10ClF3N6.C5H5ClN2.C2H5NO.CH4/c1-11(30)24-16-10-12(7-8-23-16)25-18-14-5-3-9-29(14)28-17(27-18)13-4-2-6-15(26-13)19(20,21)22;18-14-9-10(6-7-22-14)23-16-12-4-2-8-27(12)26-15(25-16)11-3-1-5-13(24-11)17(19,20)21;6-5-3-4(7)1-2-8-5;1-2(3)4;/h2-10H,1H3,(H2,23,24,25,27,28,30);1-9H,(H,22,23,25,26);1-3H,(H2,7,8);1H3,(H2,3,4);1H4
InChIKeyRIHJZHHTKGEQGV-UHFFFAOYSA-N
XLogP9.95
TPSA247.10 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001007.79
LogP ≤ 59.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide with MolForge

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Related Compounds

US9815842, Example 21
CID 118540138
US10336761, Example 319
CID 126484293
US10336761, Example 226
CID 126484344
US10336761, Example 18
CID 126499825
US9815842, Example 112
CID 118540228
US10336761, Example 338
CID 126484246
US10336761, Example 316
CID 126484274
US10336761, Example 335
CID 126484366
US10336761, Example 291
CID 126484377
US10336761, Example 320
CID 126484419
US10336761, Example 313
CID 126484450
US10336761, Example 13
CID 126499584

Frequently Asked Questions

What is the IUPAC name of acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (CID 160634030) is acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is C.CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.CC(N)=O.FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Cl)c3)c3cccn3n2)n1.Nc1ccnc(Cl)c1.
What is the InChIKey of acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is RIHJZHHTKGEQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O.C17H10ClF3N6.C5H5ClN2.C2H5NO.CH4/c1-11(30)24-16-10-12(7-8-23-16)25-18-14-5-3-9-29(14)28-17(27-18)13-4-2-6-15(26-13)19(20,21)22;18-14-9-10(6-7-22-14)23-16-12-4-2-8-27(12)26-15(25-16)11-3-1-5-13(24-11)17(19,20)21;6-5-3-4(7)1-2-8-5;1-2(3)4;/h2-10H,1H3,(H2,23,24,25,27,28,30);1-9H,(H,22,23,25,26);1-3H,(H2,7,8);1H3,(H2,3,4);1H4.
What are the key properties of acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 1007.79 g/mol, XLogP of 9.95, 7 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 160634030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).