6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide

C109H128Cl5N17O8 — CID 159083351

IUPAC6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.COc1ccc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.Cc1cncc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)c1.NCC1(c2cccc(Cl)c2)CCC(NC(=O)c2ccc(N3CCOCC3)nc2)CC1.NCC1(c2cccc(Cl)c2)CCC(NC(=O)c2cncc(-c3ccccc3)c2)CC1
InChIInChI=1S/C25H26ClN3O.C23H29ClN4O2.C21H25ClN4O2.C20H24ClN3O2.C20H24ClN3O/c26-22-8-4-7-21(14-22)25(17-27)11-9-23(10-12-25)29-24(30)20-13-19(15-28-16-20)18-5-2-1-3-6-18;24-19-3-1-2-18(14-19)23(16-25)8-6-20(7-9-23)27-22(29)17-4-5-21(26-15-17)28-10-12-30-13-11-28;1-14(27)25-19-6-5-15(12-24-19)20(28)26-18-7-9-21(13-23,10-8-18)16-3-2-4-17(22)11-16;1-26-18-6-5-14(12-23-18)19(25)24-17-7-9-20(13-22,10-8-17)15-3-2-4-16(21)11-15;1-14-9-15(12-23-11-14)19(25)24-18-5-7-20(13-22,8-6-18)16-3-2-4-17(21)10-16/h1-8,13-16,23H,9-12,17,27H2,(H,29,30);1-5,14-15,20H,6-13,16,25H2,(H,27,29);2-6,11-12,18H,7-10,13,23H2,1H3,(H,26,28)(H,24,25,27);2-6,11-12,17H,7-10,13,22H2,1H3,(H,24,25);2-4,9-12,18H,5-8,13,22H2,1H3,(H,24,25)
InChIKeyKBDDLZMIJOTVLD-UHFFFAOYSA-N
MW1981.60 g/mol
LogP18.30
Rot. Bonds24

About 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide

6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide (PubChem CID 159083351) has the molecular formula C109H128Cl5N17O8 and a molecular weight of 1981.60 g/mol. Its IUPAC name is 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide
PubChem CID159083351
Molecular FormulaC109H128Cl5N17O8
Molecular Weight1981.60 g/mol
Exact Mass1977.86
IUPAC Name6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.COc1ccc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.Cc1cncc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)c1.NCC1(c2cccc(Cl)c2)CCC(NC(=O)c2ccc(N3CCOCC3)nc2)CC1.NCC1(c2cccc(Cl)c2)CCC(NC(=O)c2cncc(-c3ccccc3)c2)CC1
InChIInChI=1S/C25H26ClN3O.C23H29ClN4O2.C21H25ClN4O2.C20H24ClN3O2.C20H24ClN3O/c26-22-8-4-7-21(14-22)25(17-27)11-9-23(10-12-25)29-24(30)20-13-19(15-28-16-20)18-5-2-1-3-6-18;24-19-3-1-2-18(14-19)23(16-25)8-6-20(7-9-23)27-22(29)17-4-5-21(26-15-17)28-10-12-30-13-11-28;1-14(27)25-19-6-5-15(12-24-19)20(28)26-18-7-9-21(13-23,10-8-18)16-3-2-4-17(22)11-16;1-26-18-6-5-14(12-23-18)19(25)24-17-7-9-20(13-22,10-8-17)15-3-2-4-16(21)11-15;1-14-9-15(12-23-11-14)19(25)24-18-5-7-20(13-22,8-6-18)16-3-2-4-17(21)10-16/h1-8,13-16,23H,9-12,17,27H2,(H,29,30);1-5,14-15,20H,6-13,16,25H2,(H,27,29);2-6,11-12,18H,7-10,13,23H2,1H3,(H,26,28)(H,24,25,27);2-6,11-12,17H,7-10,13,22H2,1H3,(H,24,25);2-4,9-12,18H,5-8,13,22H2,1H3,(H,24,25)
InChIKeyKBDDLZMIJOTVLD-UHFFFAOYSA-N
XLogP18.30
TPSA390.85 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001981.60
LogP ≤ 518.30
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide?
The IUPAC name of 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide (CID 159083351) is 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide is CC(=O)Nc1ccc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.COc1ccc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.Cc1cncc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)c1.NCC1(c2cccc(Cl)c2)CCC(NC(=O)c2ccc(N3CCOCC3)nc2)CC1.NCC1(c2cccc(Cl)c2)CCC(NC(=O)c2cncc(-c3ccccc3)c2)CC1.
What is the InChIKey of 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide?
The InChIKey is KBDDLZMIJOTVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O.C23H29ClN4O2.C21H25ClN4O2.C20H24ClN3O2.C20H24ClN3O/c26-22-8-4-7-21(14-22)25(17-27)11-9-23(10-12-25)29-24(30)20-13-19(15-28-16-20)18-5-2-1-3-6-18;24-19-3-1-2-18(14-19)23(16-25)8-6-20(7-9-23)27-22(29)17-4-5-21(26-15-17)28-10-12-30-13-11-28;1-14(27)25-19-6-5-15(12-24-19)20(28)26-18-7-9-21(13-23,10-8-18)16-3-2-4-17(22)11-16;1-26-18-6-5-14(12-23-18)19(25)24-17-7-9-20(13-22,10-8-17)15-3-2-4-16(21)11-15;1-14-9-15(12-23-11-14)19(25)24-18-5-7-20(13-22,8-6-18)16-3-2-4-17(21)10-16/h1-8,13-16,23H,9-12,17,27H2,(H,29,30);1-5,14-15,20H,6-13,16,25H2,(H,27,29);2-6,11-12,18H,7-10,13,23H2,1H3,(H,26,28)(H,24,25,27);2-6,11-12,17H,7-10,13,22H2,1H3,(H,24,25);2-4,9-12,18H,5-8,13,22H2,1H3,(H,24,25).
What are the key properties of 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide?
6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide has a molecular weight of 1981.60 g/mol, XLogP of 18.30, 24 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-methylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-morpholin-4-ylpyridine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 159083351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).