cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane

C78H100AlClF3N13O7 — CID 159991474

IUPACcyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane
SMILESCCN(c1ccc(C(=O)Nc2ccc(F)cc2)cn1)C1CC1.CCN(c1ccc(CNc2ccc(F)cc2)cn1)C1CC1.CCOC(=O)c1ccc(Cl)nc1.CCOC(=O)c1ccc(N(CC)C2CC2)nc1.CCOC(=O)c1ccc(NC2CC2)nc1.C[Al](C)C.NC1CC1.Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O.C17H20FN3.C13H18N2O2.C11H14N2O2.C8H8ClNO2.C6H6FN.C3H7N.3CH3.Al/c1-2-21(15-8-9-15)16-10-3-12(11-19-16)17(22)20-14-6-4-13(18)5-7-14;1-2-21(16-8-9-16)17-10-3-13(12-20-17)11-19-15-6-4-14(18)5-7-15;1-3-15(11-6-7-11)12-8-5-10(9-14-12)13(16)17-4-2;1-2-15-11(14)8-3-6-10(12-7-8)13-9-4-5-9;1-2-12-8(11)6-3-4-7(9)10-5-6;7-5-1-3-6(8)4-2-5;4-3-1-2-3;;;;/h3-7,10-11,15H,2,8-9H2,1H3,(H,20,22);3-7,10,12,16,19H,2,8-9,11H2,1H3;5,8-9,11H,3-4,6-7H2,1-2H3;3,6-7,9H,2,4-5H2,1H3,(H,12,13);3-5H,2H2,1H3;1-4H,8H2;3H,1-2,4H2;3*1H3;
InChIKeyBXJGZFSHMMPMHH-UHFFFAOYSA-N
MW1451.17 g/mol
LogP16.16
Rot. Bonds22

About cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane

cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane (PubChem CID 159991474) has the molecular formula C78H100AlClF3N13O7 and a molecular weight of 1451.17 g/mol. Its IUPAC name is cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane.

Molecular Properties

Compound Namecyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane
PubChem CID159991474
Molecular FormulaC78H100AlClF3N13O7
Molecular Weight1451.17 g/mol
Exact Mass1449.73
IUPAC Namecyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane
SMILESCCN(c1ccc(C(=O)Nc2ccc(F)cc2)cn1)C1CC1.CCN(c1ccc(CNc2ccc(F)cc2)cn1)C1CC1.CCOC(=O)c1ccc(Cl)nc1.CCOC(=O)c1ccc(N(CC)C2CC2)nc1.CCOC(=O)c1ccc(NC2CC2)nc1.C[Al](C)C.NC1CC1.Nc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O.C17H20FN3.C13H18N2O2.C11H14N2O2.C8H8ClNO2.C6H6FN.C3H7N.3CH3.Al/c1-2-21(15-8-9-15)16-10-3-12(11-19-16)17(22)20-14-6-4-13(18)5-7-14;1-2-21(16-8-9-16)17-10-3-13(12-20-17)11-19-15-6-4-14(18)5-7-15;1-3-15(11-6-7-11)12-8-5-10(9-14-12)13(16)17-4-2;1-2-15-11(14)8-3-6-10(12-7-8)13-9-4-5-9;1-2-12-8(11)6-3-4-7(9)10-5-6;7-5-1-3-6(8)4-2-5;4-3-1-2-3;;;;/h3-7,10-11,15H,2,8-9H2,1H3,(H,20,22);3-7,10,12,16,19H,2,8-9,11H2,1H3;5,8-9,11H,3-4,6-7H2,1-2H3;3,6-7,9H,2,4-5H2,1H3,(H,12,13);3-5H,2H2,1H3;1-4H,8H2;3H,1-2,4H2;3*1H3;
InChIKeyBXJGZFSHMMPMHH-UHFFFAOYSA-N
XLogP16.16
TPSA258.27 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001451.17
LogP ≤ 516.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane?
The IUPAC name of cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane (CID 159991474) is cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane.
What is the SMILES notation for cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane?
The canonical SMILES for cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane is CCN(c1ccc(C(=O)Nc2ccc(F)cc2)cn1)C1CC1.CCN(c1ccc(CNc2ccc(F)cc2)cn1)C1CC1.CCOC(=O)c1ccc(Cl)nc1.CCOC(=O)c1ccc(N(CC)C2CC2)nc1.CCOC(=O)c1ccc(NC2CC2)nc1.C[Al](C)C.NC1CC1.Nc1ccc(F)cc1.
What is the InChIKey of cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane?
The InChIKey is BXJGZFSHMMPMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O.C17H20FN3.C13H18N2O2.C11H14N2O2.C8H8ClNO2.C6H6FN.C3H7N.3CH3.Al/c1-2-21(15-8-9-15)16-10-3-12(11-19-16)17(22)20-14-6-4-13(18)5-7-14;1-2-21(16-8-9-16)17-10-3-13(12-20-17)11-19-15-6-4-14(18)5-7-15;1-3-15(11-6-7-11)12-8-5-10(9-14-12)13(16)17-4-2;1-2-15-11(14)8-3-6-10(12-7-8)13-9-4-5-9;1-2-12-8(11)6-3-4-7(9)10-5-6;7-5-1-3-6(8)4-2-5;4-3-1-2-3;;;;/h3-7,10-11,15H,2,8-9H2,1H3,(H,20,22);3-7,10,12,16,19H,2,8-9,11H2,1H3;5,8-9,11H,3-4,6-7H2,1-2H3;3,6-7,9H,2,4-5H2,1H3,(H,12,13);3-5H,2H2,1H3;1-4H,8H2;3H,1-2,4H2;3*1H3;.
What are the key properties of cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane?
cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane has a molecular weight of 1451.17 g/mol, XLogP of 16.16, 22 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;6-[cyclopropyl(ethyl)amino]-N-(4-fluorophenyl)pyridine-3-carboxamide;N-cyclopropyl-N-ethyl-5-[(4-fluoroanilino)methyl]pyridin-2-amine;ethyl 6-chloropyridine-3-carboxylate;ethyl 6-(cyclopropylamino)pyridine-3-carboxylate;ethyl 6-[cyclopropyl(ethyl)amino]pyridine-3-carboxylate;4-fluoroaniline;trimethylalumane is sourced from PubChem (CID 159991474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).