4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane

C50H53AlCl2F2N8O3 — CID 157202767

About 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane

4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane (PubChem CID 157202767) has the molecular formula C50H53AlCl2F2N8O3 and a molecular weight of 949.91 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane.

Molecular Properties

• Compound Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane
• PubChem CID: 157202767
• Molecular Formula: C50H53AlCl2F2N8O3
• Molecular Weight: 949.91 g/mol
• Exact Mass: 948.34
• IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane
• SMILES: C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC1CC1.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)OC.C[Al](C)C.NC1CC1
• InChI: InChI=1S/C23H20ClFN4O.C21H17ClFN3O2.C3H7N.3CH3.Al/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15;1-12(2)15-11-25-19(14-8-13(22)4-5-17(14)23)9-20(15)26-18-6-7-24-10-16(18)21(27)28-3;4-3-1-2-3;;;;/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29);4-11H,1H2,2-3H3,(H,24,25,26);3H,1-2,4H2;3*1H3
• InChIKey: HFFNNXZNNYGVQF-UHFFFAOYSA-N
• XLogP: 12.58
• TPSA: 157.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.91
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane?

The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane (CID 157202767) is 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane.

What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane?

The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane is C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC1CC1.C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)OC.C[Al](C)C.NC1CC1.

What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane?

The InChIKey is HFFNNXZNNYGVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O.C21H17ClFN3O2.C3H7N.3CH3.Al/c1-13(2)17-12-27-21(16-9-14(24)3-6-19(16)25)10-22(17)29-20-7-8-26-11-18(20)23(30)28-15-4-5-15;1-12(2)15-11-25-19(14-8-13(22)4-5-17(14)23)9-20(15)26-18-6-7-24-10-16(18)21(27)28-3;4-3-1-2-3;;;;/h3,6-12,15H,1,4-5H2,2H3,(H,28,30)(H,26,27,29);4-11H,1H2,2-3H3,(H,24,25,26);3H,1-2,4H2;3*1H3;.

What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane?

4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane has a molecular weight of 949.91 g/mol, XLogP of 12.58, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-cyclopropylpyridine-3-carboxamide;cyclopropanamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate;trimethylalumane is sourced from PubChem (CID 157202767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).