5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide

C22H28ClN3O2 — CID 24856756

IUPAC5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide
SMILESCCCN(C)c1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H28ClN3O2/c1-4-11-26(3)20-19(15-5-9-18(23)10-6-15)12-16(13-24-20)21(27)25-14-22(2,28)17-7-8-17/h5-6,9-10,12-13,17,28H,4,7-8,11,14H2,1-3H3,(H,25,27)
InChIKeyZRHYVSLVZKFUMR-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.14
Rot. Bonds8

About 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide

5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide (PubChem CID 24856756) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide
PubChem CID24856756
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide
SMILESCCCN(C)c1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H28ClN3O2/c1-4-11-26(3)20-19(15-5-9-18(23)10-6-15)12-16(13-24-20)21(27)25-14-22(2,28)17-7-8-17/h5-6,9-10,12-13,17,28H,4,7-8,11,14H2,1-3H3,(H,25,27)
InChIKeyZRHYVSLVZKFUMR-UHFFFAOYSA-N
XLogP4.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 11951477
5-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 24797445
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
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
5-bromo-6-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-3-(trifluoromethyl)pyrazine-2-carboxamide
CID 86634704
N-(2-cyclopropyl-2-hydroxypropyl)-6-(2,4-dichlorophenyl)-5-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 86616973
5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
CID 90499338
5-(4-chlorophenyl)-N-[2-(hydroxymethyl)pentyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide
CID 21109684

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide (CID 24856756) is 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide is CCCN(C)c1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide?
The InChIKey is ZRHYVSLVZKFUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-4-11-26(3)20-19(15-5-9-18(23)10-6-15)12-16(13-24-20)21(27)25-14-22(2,28)17-7-8-17/h5-6,9-10,12-13,17,28H,4,7-8,11,14H2,1-3H3,(H,25,27).
What are the key properties of 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide has a molecular weight of 401.94 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 24856756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).