N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide

C19H21F2N5O2 — CID 171600987

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](F)[C@H]2c2ccc(F)nc2)cnc1N
InChIInChI=1S/C19H21F2N5O2/c1-10-5-14(20)16(12-3-4-15(21)23-7-12)26(9-10)19(28)18(27)25-13-6-11(2)17(22)24-8-13/h3-4,6-8,10,14,16H,5,9H2,1-2H3,(H2,22,24)(H,25,27)/t10-,14+,16-/m1/s1
InChIKeyDZCSURRXOHOAHC-FUEDEBDSSA-N
MW389.41 g/mol
LogP2.39
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 171600987) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID171600987
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](F)[C@H]2c2ccc(F)nc2)cnc1N
InChIInChI=1S/C19H21F2N5O2/c1-10-5-14(20)16(12-3-4-15(21)23-7-12)26(9-10)19(28)18(27)25-13-6-11(2)17(22)24-8-13/h3-4,6-8,10,14,16H,5,9H2,1-2H3,(H2,22,24)(H,25,27)/t10-,14+,16-/m1/s1
InChIKeyDZCSURRXOHOAHC-FUEDEBDSSA-N
XLogP2.39
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 164751690
N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164753690
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-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164753144
N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
CID 175471315
N-(6-amino-5-methyl-3-pyridinyl)-2-[4-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-5-methylpiperazin-1-yl]-2-oxoacetamide
CID 169115833
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 164753114
[4-[(2S,5R)-1-[2-[(6-amino-5-methyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164751936
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(4-methylsulfonylphenyl)piperidin-1-yl]-2-oxoacetamide
CID 164750639
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-[(2R,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidin-1-yl]-2-oxoacetamide
CID 164752533
N-(6-amino-5-methyl-3-pyridinyl)-2-[(4S,5R)-2-(4-fluorophenyl)-5-methyl-4-(trifluoromethoxy)piperidin-1-yl]-2-oxoacetamide
CID 167033524

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 171600987) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](F)[C@H]2c2ccc(F)nc2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is DZCSURRXOHOAHC-FUEDEBDSSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-10-5-14(20)16(12-3-4-15(21)23-7-12)26(9-10)19(28)18(27)25-13-6-11(2)17(22)24-8-13/h3-4,6-8,10,14,16H,5,9H2,1-2H3,(H2,22,24)(H,25,27)/t10-,14+,16-/m1/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 389.41 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 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-[(2R,3S,5R)-3-fluoro-2-(6-fluoro-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 171600987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).