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

C19H18F4N4O2 — CID 175637335

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC(F)(F)C[C@H]2c2ccc(F)c(F)c2)cnc1N
InChIInChI=1S/C19H18F4N4O2/c1-10-6-12(9-25-16(10)24)26-17(28)18(29)27-5-4-19(22,23)8-15(27)11-2-3-13(20)14(21)7-11/h2-3,6-7,9,15H,4-5,8H2,1H3,(H2,24,25)(H,26,28)/t15-/m0/s1
InChIKeyGYXKOGAJAMQTBC-HNNXBMFYSA-N
MW410.37 g/mol
LogP3.19
Rot. Bonds2

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide (PubChem CID 175637335) has the molecular formula C19H18F4N4O2 and a molecular weight of 410.37 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide
PubChem CID175637335
Molecular FormulaC19H18F4N4O2
Molecular Weight410.37 g/mol
Exact Mass410.14
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC(F)(F)C[C@H]2c2ccc(F)c(F)c2)cnc1N
InChIInChI=1S/C19H18F4N4O2/c1-10-6-12(9-25-16(10)24)26-17(28)18(29)27-5-4-19(22,23)8-15(27)11-2-3-13(20)14(21)7-11/h2-3,6-7,9,15H,4-5,8H2,1H3,(H2,24,25)(H,26,28)/t15-/m0/s1
InChIKeyGYXKOGAJAMQTBC-HNNXBMFYSA-N
XLogP3.19
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide (CID 175637335) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCC(F)(F)C[C@H]2c2ccc(F)c(F)c2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide?
The InChIKey is GYXKOGAJAMQTBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18F4N4O2/c1-10-6-12(9-25-16(10)24)26-17(28)18(29)27-5-4-19(22,23)8-15(27)11-2-3-13(20)14(21)7-11/h2-3,6-7,9,15H,4-5,8H2,1H3,(H2,24,25)(H,26,28)/t15-/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide has a molecular weight of 410.37 g/mol, XLogP of 3.19, 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-(3,4-difluorophenyl)-4,4-difluoropiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 175637335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).