5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide

C21H26ClN3O3 — CID 11951477

IUPAC5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
SMILESCOCCNc1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O3/c1-21(27,16-5-6-16)13-25-20(26)15-11-18(14-3-7-17(22)8-4-14)19(24-12-15)23-9-10-28-2/h3-4,7-8,11-12,16,27H,5-6,9-10,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyXIJCROVWBPYKHG-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.35
Rot. Bonds9

About 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide (PubChem CID 11951477) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
PubChem CID11951477
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
SMILESCOCCNc1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O3/c1-21(27,16-5-6-16)13-25-20(26)15-11-18(14-3-7-17(22)8-4-14)19(24-12-15)23-9-10-28-2/h3-4,7-8,11-12,16,27H,5-6,9-10,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyXIJCROVWBPYKHG-UHFFFAOYSA-N
XLogP3.35
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.35
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-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide
CID 24856756
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-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 24797445
6-butoxy-5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)pyridine-3-carboxamide;2-cyclopropyl-2-trimethylsilyloxypropanenitrile
CID 21109720
N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide
CID 21109682
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide
CID 21109676
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)-6-(2,4-dichlorophenyl)-5-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 86616973
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
5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide
CID 86634704

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide (CID 11951477) is 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide is COCCNc1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide?
The InChIKey is XIJCROVWBPYKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-21(27,16-5-6-16)13-25-20(26)15-11-18(14-3-7-17(22)8-4-14)19(24-12-15)23-9-10-28-2/h3-4,7-8,11-12,16,27H,5-6,9-10,13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 11951477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).