N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide

C20H21FN6O2 — CID 167033259

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cc(F)c3[nH]ncc3c2)cnc1N
InChIInChI=1S/C20H21FN6O2/c1-11-6-14(10-23-18(11)22)25-19(28)20(29)27-5-3-2-4-16(27)12-7-13-9-24-26-17(13)15(21)8-12/h6-10,16H,2-5H2,1H3,(H2,22,23)(H,24,26)(H,25,28)/t16-/m0/s1
InChIKeyUQBFYQLMHDVHKB-INIZCTEOSA-N
MW396.43 g/mol
LogP2.68
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 167033259) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID167033259
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cc(F)c3[nH]ncc3c2)cnc1N
InChIInChI=1S/C20H21FN6O2/c1-11-6-14(10-23-18(11)22)25-19(28)20(29)27-5-3-2-4-16(27)12-7-13-9-24-26-17(13)15(21)8-12/h6-10,16H,2-5H2,1H3,(H2,22,23)(H,24,26)(H,25,28)/t16-/m0/s1
InChIKeyUQBFYQLMHDVHKB-INIZCTEOSA-N
XLogP2.68
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide
CID 167033385
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-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
CID 164753661
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-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164751109
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1H-indazol-6-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164750210
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-(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
N-(6-amino-5-methyl-3-pyridinyl)-2-[2-(4-fluorophenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-2-oxoacetamide
CID 169115640
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide (CID 167033259) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCCC[C@H]2c2cc(F)c3[nH]ncc3c2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is UQBFYQLMHDVHKB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-11-6-14(10-23-18(11)22)25-19(28)20(29)27-5-3-2-4-16(27)12-7-13-9-24-26-17(13)15(21)8-12/h6-10,16H,2-5H2,1H3,(H2,22,23)(H,24,26)(H,25,28)/t16-/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 396.43 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167033259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).