N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide

C20H23FN4O2 — CID 164751789

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1N
InChIInChI=1S/C20H23FN4O2/c1-12-3-8-17(14-4-6-15(21)7-5-14)25(11-12)20(27)19(26)24-16-9-13(2)18(22)23-10-16/h4-7,9-10,12,17H,3,8,11H2,1-2H3,(H2,22,23)(H,24,26)/t12-,17+/m0/s1
InChIKeyKYAJWWVGEYDQGW-YVEFUNNKSA-N
MW370.43 g/mol
LogP3.05
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164751789) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID164751789
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1N
InChIInChI=1S/C20H23FN4O2/c1-12-3-8-17(14-4-6-15(21)7-5-14)25(11-12)20(27)19(26)24-16-9-13(2)18(22)23-10-16/h4-7,9-10,12,17H,3,8,11H2,1-2H3,(H2,22,23)(H,24,26)/t12-,17+/m0/s1
InChIKeyKYAJWWVGEYDQGW-YVEFUNNKSA-N
XLogP3.05
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 164751789) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc(F)cc2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is KYAJWWVGEYDQGW-YVEFUNNKSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-12-3-8-17(14-4-6-15(21)7-5-14)25(11-12)20(27)19(26)24-16-9-13(2)18(22)23-10-16/h4-7,9-10,12,17H,3,8,11H2,1-2H3,(H2,22,23)(H,24,26)/t12-,17+/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 370.43 g/mol, XLogP of 3.05, 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-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164751789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).