N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide

C19H19ClF2N4O2 — CID 167033385

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cc(F)c(F)c(Cl)c2)cnc1N
InChIInChI=1S/C19H19ClF2N4O2/c1-10-6-12(9-24-17(10)23)25-18(27)19(28)26-5-3-2-4-15(26)11-7-13(20)16(22)14(21)8-11/h6-9,15H,2-5H2,1H3,(H2,23,24)(H,25,27)/t15-/m0/s1
InChIKeyNSTFQTXMSYMPPZ-HNNXBMFYSA-N
MW408.84 g/mol
LogP3.60
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 167033385) has the molecular formula C19H19ClF2N4O2 and a molecular weight of 408.84 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID167033385
Molecular FormulaC19H19ClF2N4O2
Molecular Weight408.84 g/mol
Exact Mass408.12
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cc(F)c(F)c(Cl)c2)cnc1N
InChIInChI=1S/C19H19ClF2N4O2/c1-10-6-12(9-24-17(10)23)25-18(27)19(28)26-5-3-2-4-15(26)11-7-13(20)16(22)14(21)8-11/h6-9,15H,2-5H2,1H3,(H2,23,24)(H,25,27)/t15-/m0/s1
InChIKeyNSTFQTXMSYMPPZ-HNNXBMFYSA-N
XLogP3.60
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide
CID 167033401
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-chloro-4,5-difluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164751767
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide
CID 167033259
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
CID 164753661
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164751109
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide
CID 175637266
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide
CID 164750958
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide
CID 175637335
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-cyclopentyl-2-methylpiperidin-1-yl]-2-oxoacetamide
CID 175637834
5-[[2-[(2R,5S)-2-(3-chloro-4,5-difluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751156
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-2-cyclohexyl-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164750802

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide (CID 167033385) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cc(F)c(F)c(Cl)c2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is NSTFQTXMSYMPPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O2/c1-10-6-12(9-24-17(10)23)25-18(27)19(28)26-5-3-2-4-15(26)11-7-13(20)16(22)14(21)8-11/h6-9,15H,2-5H2,1H3,(H2,23,24)(H,25,27)/t15-/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 408.84 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167033385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).