2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide

C23H29ClN4O2 — CID 92640003

IUPAC2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESC[C@H](Cc1ccccc1Cl)C(=O)N1CCC(c2ccc(C(=O)N(C)C)c(N)n2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-15(14-17-6-4-5-7-19(17)24)22(29)28-12-10-16(11-13-28)20-9-8-18(21(25)26-20)23(30)27(2)3/h4-9,15-16H,10-14H2,1-3H3,(H2,25,26)/t15-/m1/s1
InChIKeyILLGBKUJFBLEOQ-OAHLLOKOSA-N
MW428.96 g/mol
LogP3.60
Rot. Bonds5

About 2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide

2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 92640003) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID92640003
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESC[C@H](Cc1ccccc1Cl)C(=O)N1CCC(c2ccc(C(=O)N(C)C)c(N)n2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-15(14-17-6-4-5-7-19(17)24)22(29)28-12-10-16(11-13-28)20-9-8-18(21(25)26-20)23(30)27(2)3/h4-9,15-16H,10-14H2,1-3H3,(H2,25,26)/t15-/m1/s1
InChIKeyILLGBKUJFBLEOQ-OAHLLOKOSA-N
XLogP3.60
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 109378493
3-(2-chlorophenyl)-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120997146
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837876
3-(3-chlorophenyl)-2-methyl-1-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110093423
2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 92640464
5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259464
2-amino-N-[(2-fluorophenyl)methyl]-6-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 110085306
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
6-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-2-amino-N-cyclopentylpyridine-3-carboxamide
CID 92640073
4-(2-chlorophenyl)-3-methylbutan-2-one
CID 59397015
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068495

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide (CID 92640003) is 2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide is C[C@H](Cc1ccccc1Cl)C(=O)N1CCC(c2ccc(C(=O)N(C)C)c(N)n2)CC1.
What is the InChIKey of 2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is ILLGBKUJFBLEOQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-15(14-17-6-4-5-7-19(17)24)22(29)28-12-10-16(11-13-28)20-9-8-18(21(25)26-20)23(30)27(2)3/h4-9,15-16H,10-14H2,1-3H3,(H2,25,26)/t15-/m1/s1.
What are the key properties of 2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[1-[(2R)-3-(2-chlorophenyl)-2-methylpropanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 92640003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).