5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide

C23H28ClN3O2 — CID 11949889

IUPAC5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESCN(CC1CC1)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O2/c1-27(14-15-6-7-15)22-19(16-8-10-18(24)11-9-16)12-17(13-25-22)23(29)26-20-4-2-3-5-21(20)28/h8-13,15,20-21,28H,2-7,14H2,1H3,(H,26,29)/t20-,21-/m1/s1
InChIKeyZCJCWQIZAYPVNC-NHCUHLMSSA-N
MW413.95 g/mol
LogP4.28
Rot. Bonds6

About 5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide

5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (PubChem CID 11949889) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
PubChem CID11949889
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESCN(CC1CC1)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O2/c1-27(14-15-6-7-15)22-19(16-8-10-18(24)11-9-16)12-17(13-25-22)23(29)26-20-4-2-3-5-21(20)28/h8-13,15,20-21,28H,2-7,14H2,1H3,(H,26,29)/t20-,21-/m1/s1
InChIKeyZCJCWQIZAYPVNC-NHCUHLMSSA-N
XLogP4.28
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-(4-Chloro-phenyl)-6-(2-cyclopropyl-ethyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 24797443
4-[2-amino-5-(4-hydroxycyclohexyl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045724
5-Chloro-N-[1-(4-chloro-benzyl)-piperidin-4-yl]-2-(cyclopropylmethyl-amino)-nicotinamide
CID 44403500
5-chloro-N-cyclopropyl-6-(4-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44527552
6-(4-benzylpiperidin-1-yl)-5-chloro-N-cyclopropylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44527554
5-chloro-N-cyclopropyl-6-(3-phenylpiperidin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44527558
5-chloro-N-cyclopropyl-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44527560
5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-(hydroxymethyl)piperazin-1-yl)-N-methylnicotinamide
CID 53323854
6-[Bis-(2-hydroxy-ethyl)-amino]-N-(7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-yl-methyl)-nicotinamide
CID 71208373
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
CID 71208448
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide
CID 71208582
N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-(2-hydroxy-ethyl-amino)-nicotinamide
CID 71208705

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (CID 11949889) is 5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is CN(CC1CC1)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The InChIKey is ZCJCWQIZAYPVNC-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-27(14-15-6-7-15)22-19(16-8-10-18(24)11-9-16)12-17(13-25-22)23(29)26-20-4-2-3-5-21(20)28/h8-13,15,20-21,28H,2-7,14H2,1H3,(H,26,29)/t20-,21-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-[cyclopropylmethyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 11949889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).