5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide

C22H27ClN2O4 — CID 67505139

IUPAC5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
SMILESCO[C@@H](C)COc1ncc(C(=O)NC2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O4/c1-14(28-2)13-29-22-18(15-7-9-17(23)10-8-15)11-16(12-24-22)21(27)25-19-5-3-4-6-20(19)26/h7-12,14,19-20,26H,3-6,13H2,1-2H3,(H,25,27)/t14-,19?,20+/m0/s1
InChIKeyIGEUTSVWIQCQQT-XLDGYAMZSA-N
MW418.92 g/mol
LogP3.85
Rot. Bonds7

About 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide (PubChem CID 67505139) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
PubChem CID67505139
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC Name5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
SMILESCO[C@@H](C)COc1ncc(C(=O)NC2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O4/c1-14(28-2)13-29-22-18(15-7-9-17(23)10-8-15)11-16(12-24-22)21(27)25-19-5-3-4-6-20(19)26/h7-12,14,19-20,26H,3-6,13H2,1-2H3,(H,25,27)/t14-,19?,20+/m0/s1
InChIKeyIGEUTSVWIQCQQT-XLDGYAMZSA-N
XLogP3.85
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505140
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
6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 21109644
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 24856919
5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 21109622
5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide
CID 67505408
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[3-(2-oxopyrrolidin-1-yl)propoxy]pyridine-3-carboxamide
CID 67505011
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
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 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide (CID 67505139) is 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide is CO[C@@H](C)COc1ncc(C(=O)NC2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide?
The InChIKey is IGEUTSVWIQCQQT-XLDGYAMZSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-14(28-2)13-29-22-18(15-7-9-17(23)10-8-15)11-16(12-24-22)21(27)25-19-5-3-4-6-20(19)26/h7-12,14,19-20,26H,3-6,13H2,1-2H3,(H,25,27)/t14-,19?,20+/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide has a molecular weight of 418.92 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide is sourced from PubChem (CID 67505139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).