6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide

C23H28ClN3O4 — CID 21109644

IUPAC6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
SMILESNC(=O)CCCCOc1ncc(C(=O)NC2CCCCC2O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O4/c24-17-10-8-15(9-11-17)18-13-16(22(30)27-19-5-1-2-6-20(19)28)14-26-23(18)31-12-4-3-7-21(25)29/h8-11,13-14,19-20,28H,1-7,12H2,(H2,25,29)(H,27,30)
InChIKeyOFIWLXCHMMMMIW-UHFFFAOYSA-N
MW445.95 g/mol
LogP3.47
Rot. Bonds9

About 6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide

6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide (PubChem CID 21109644) has the molecular formula C23H28ClN3O4 and a molecular weight of 445.95 g/mol. Its IUPAC name is 6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
PubChem CID21109644
Molecular FormulaC23H28ClN3O4
Molecular Weight445.95 g/mol
Exact Mass445.18
IUPAC Name6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
SMILESNC(=O)CCCCOc1ncc(C(=O)NC2CCCCC2O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O4/c24-17-10-8-15(9-11-17)18-13-16(22(30)27-19-5-1-2-6-20(19)28)14-26-23(18)31-12-4-3-7-21(25)29/h8-11,13-14,19-20,28H,1-7,12H2,(H2,25,29)(H,27,30)
InChIKeyOFIWLXCHMMMMIW-UHFFFAOYSA-N
XLogP3.47
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[3-(2-oxopyrrolidin-1-yl)propoxy]pyridine-3-carboxamide
CID 67505011
5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 21109622
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505140
5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505139
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 24856919
5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide
CID 21109591
5-(3,4-dichlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146505274
5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide
CID 67505408
3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(2-methoxyethoxy)benzamide
CID 76685123
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide
CID 67504838

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide (CID 21109644) is 6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide is NC(=O)CCCCOc1ncc(C(=O)NC2CCCCC2O)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The InChIKey is OFIWLXCHMMMMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4/c24-17-10-8-15(9-11-17)18-13-16(22(30)27-19-5-1-2-6-20(19)28)14-26-23(18)31-12-4-3-7-21(25)29/h8-11,13-14,19-20,28H,1-7,12H2,(H2,25,29)(H,27,30).
What are the key properties of 6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide has a molecular weight of 445.95 g/mol, XLogP of 3.47, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 21109644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).