5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide

C22H23ClN2O3 — CID 67505408

IUPAC5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide
SMILESCOCC#Cc1ncc(C(=O)NC2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O3/c1-28-12-4-6-19-18(15-8-10-17(23)11-9-15)13-16(14-24-19)22(27)25-20-5-2-3-7-21(20)26/h8-11,13-14,20-21,26H,2-3,5,7,12H2,1H3,(H,25,27)/t20?,21-/m1/s1
InChIKeyVMGRSSARANEYCN-BPGUCPLFSA-N
MW398.89 g/mol
LogP3.43
Rot. Bonds4

About 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide (PubChem CID 67505408) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide
PubChem CID67505408
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide
SMILESCOCC#Cc1ncc(C(=O)NC2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O3/c1-28-12-4-6-19-18(15-8-10-17(23)11-9-15)13-16(14-24-19)22(27)25-20-5-2-3-7-21(20)26/h8-11,13-14,20-21,26H,2-3,5,7,12H2,1H3,(H,25,27)/t20?,21-/m1/s1
InChIKeyVMGRSSARANEYCN-BPGUCPLFSA-N
XLogP3.43
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505139
3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(2-methoxyethoxy)benzamide
CID 76685123
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-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
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-[(1R,2R)-2-hydroxycyclohexyl]-6-[2-(1-hydroxycyclopentyl)ethyl]pyridine-3-carboxamide
CID 67504838
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
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide (CID 67505408) is 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide is COCC#Cc1ncc(C(=O)NC2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide?
The InChIKey is VMGRSSARANEYCN-BPGUCPLFSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-28-12-4-6-19-18(15-8-10-17(23)11-9-15)13-16(14-24-19)22(27)25-20-5-2-3-7-21(20)26/h8-11,13-14,20-21,26H,2-3,5,7,12H2,1H3,(H,25,27)/t20?,21-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(3-methoxyprop-1-ynyl)pyridine-3-carboxamide is sourced from PubChem (CID 67505408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).