4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C53H56Cl4F6N8O4 — CID 157486092

About 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 157486092) has the molecular formula C53H56Cl4F6N8O4 and a molecular weight of 1124.88 g/mol. Its IUPAC name is 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 157486092
• Molecular Formula: C53H56Cl4F6N8O4
• Molecular Weight: 1124.88 g/mol
• Exact Mass: 1122.31
• IUPAC Name: 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: CC(C(=O)NC1CCCC1)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)c(Cl)c3)CC2)c(Cl)c1.CC(C(=O)NC1CCCCC1)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)c(Cl)c3)CC2)c(Cl)c1
• InChI: InChI=1S/C27H29Cl2F3N4O2.C26H27Cl2F3N4O2/c1-16(25(37)34-19-5-3-2-4-6-19)18-13-23(29)24(33-15-18)17-9-11-36(12-10-17)26(38)35-20-7-8-21(22(28)14-20)27(30,31)32;1-15(24(36)33-18-4-2-3-5-18)17-12-22(28)23(32-14-17)16-8-10-35(11-9-16)25(37)34-19-6-7-20(21(27)13-19)26(29,30)31/h7-9,13-16,19H,2-6,10-12H2,1H3,(H,34,37)(H,35,38);6-8,12-15,18H,2-5,9-11H2,1H3,(H,33,36)(H,34,37)
• InChIKey: BWSOUCOJODAYNN-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 148.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1124.88
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 157486092) is 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C(=O)NC1CCCC1)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)c(Cl)c3)CC2)c(Cl)c1.CC(C(=O)NC1CCCCC1)c1cnc(C2=CCN(C(=O)Nc3ccc(C(F)(F)F)c(Cl)c3)CC2)c(Cl)c1.

What is the InChIKey of 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is BWSOUCOJODAYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2F3N4O2.C26H27Cl2F3N4O2/c1-16(25(37)34-19-5-3-2-4-6-19)18-13-23(29)24(33-15-18)17-9-11-36(12-10-17)26(38)35-20-7-8-21(22(28)14-20)27(30,31)32;1-15(24(36)33-18-4-2-3-5-18)17-12-22(28)23(32-14-17)16-8-10-35(11-9-16)25(37)34-19-6-7-20(21(27)13-19)26(29,30)31/h7-9,13-16,19H,2-6,10-12H2,1H3,(H,34,37)(H,35,38);6-8,12-15,18H,2-5,9-11H2,1H3,(H,33,36)(H,34,37).

What are the key properties of 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 1124.88 g/mol, XLogP of 14.17, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 157486092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).