5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen

C27H39Cl2N5O — CID 158375694

About 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen

5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen (PubChem CID 158375694) has the molecular formula C27H39Cl2N5O and a molecular weight of 520.55 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 158375694
• Molecular Formula: C27H39Cl2N5O
• Molecular Weight: 520.55 g/mol
• Exact Mass: 519.25
• IUPAC Name: 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen
• SMILES: CCNC(=O)c1cnc(N2CCN(C3CCN([C@@H](CC)c4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1.[H][H]
• InChI: InChI=1S/C27H37Cl2N5O.H2/c1-4-25(20-6-8-22(28)9-7-20)32-12-10-23(11-13-32)34-15-14-33(18-19(34)3)26-24(29)16-21(17-31-26)27(35)30-5-2;/h6-9,16-17,19,23,25H,4-5,10-15,18H2,1-3H3,(H,30,35);1H/t19-,25-;/m0./s1
• InChIKey: GVDVGWOXRLHJLD-FEINMWSASA-N
• XLogP: 5.51
• TPSA: 51.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.55
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen (CID 158375694) is 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen is CCNC(=O)c1cnc(N2CCN(C3CCN([C@@H](CC)c4ccc(Cl)cc4)CC3)[C@@H](C)C2)c(Cl)c1.[H][H].

What is the InChIKey of 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen?

The InChIKey is GVDVGWOXRLHJLD-FEINMWSASA-N. The full InChI is InChI=1S/C27H37Cl2N5O.H2/c1-4-25(20-6-8-22(28)9-7-20)32-12-10-23(11-13-32)34-15-14-33(18-19(34)3)26-24(29)16-21(17-31-26)27(35)30-5-2;/h6-9,16-17,19,23,25H,4-5,10-15,18H2,1-3H3,(H,30,35);1H/t19-,25-;/m0./s1.

What are the key properties of 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen?

5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen has a molecular weight of 520.55 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)propyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158375694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).