6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile

C31H44ClN3O4Si — CID 21109720

IUPAC6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)C1CC1.CCCCOc1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3.C9H17NOSi/c1-3-4-11-28-21-19(15-5-9-18(23)10-6-15)12-16(13-24-21)20(26)25-14-22(2,27)17-7-8-17;1-9(7-10,8-5-6-8)11-12(2,3)4/h5-6,9-10,12-13,17,27H,3-4,7-8,11,14H2,1-2H3,(H,25,26);8H,5-6H2,1-4H3
InChIKeyGZCDIQUQSGECKG-UHFFFAOYSA-N
MW586.25 g/mol
LogP7.00
Rot. Bonds12

About 6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile

6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile (PubChem CID 21109720) has the molecular formula C31H44ClN3O4Si and a molecular weight of 586.25 g/mol. Its IUPAC name is 6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile
PubChem CID21109720
Molecular FormulaC31H44ClN3O4Si
Molecular Weight586.25 g/mol
Exact Mass585.28
IUPAC Name6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile
SMILESCC(C#N)(O[Si](C)(C)C)C1CC1.CCCCOc1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3.C9H17NOSi/c1-3-4-11-28-21-19(15-5-9-18(23)10-6-15)12-16(13-24-21)20(26)25-14-22(2,27)17-7-8-17;1-9(7-10,8-5-6-8)11-12(2,3)4/h5-6,9-10,12-13,17,27H,3-4,7-8,11,14H2,1-2H3,(H,25,26);8H,5-6H2,1-4H3
InChIKeyGZCDIQUQSGECKG-UHFFFAOYSA-N
XLogP7.00
TPSA104.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.25
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide
CID 21109629
5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide
CID 67011762
5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 11951477
5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide
CID 24856756
N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide
CID 21109682
5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 24797445
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide
CID 21109677
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide
CID 21109676
5-(4-chlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide
CID 11951838
5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide
CID 21109684
N-(2-cyclopropyl-2-hydroxypropyl)-6-(2,4-dichlorophenyl)-5-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 86616973
6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 21109644

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile?
The IUPAC name of 6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile (CID 21109720) is 6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for 6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for 6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile is CC(C#N)(O[Si](C)(C)C)C1CC1.CCCCOc1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile?
The InChIKey is GZCDIQUQSGECKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3.C9H17NOSi/c1-3-4-11-28-21-19(15-5-9-18(23)10-6-15)12-16(13-24-21)20(26)25-14-22(2,27)17-7-8-17;1-9(7-10,8-5-6-8)11-12(2,3)4/h5-6,9-10,12-13,17,27H,3-4,7-8,11,14H2,1-2H3,(H,25,26);8H,5-6H2,1-4H3.
What are the key properties of 6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile?
6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile has a molecular weight of 586.25 g/mol, XLogP of 7.00, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 21109720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).