methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate

C18H18F3N3O3 — CID 3559132

IUPACmethyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate
SMILESCOC(=O)C(NC(=O)c1ccccc1)(Nc1cc(C)cc(C)n1)C(F)(F)F
InChIInChI=1S/C18H18F3N3O3/c1-11-9-12(2)22-14(10-11)23-17(16(26)27-3,18(19,20)21)24-15(25)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,22,23)(H,24,25)
InChIKeyIMGRMFPVLFHBFO-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.97
Rot. Bonds5

About methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate

methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate (PubChem CID 3559132) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate.

Molecular Properties

Compound Namemethyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate
PubChem CID3559132
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Namemethyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate
SMILESCOC(=O)C(NC(=O)c1ccccc1)(Nc1cc(C)cc(C)n1)C(F)(F)F
InChIInChI=1S/C18H18F3N3O3/c1-11-9-12(2)22-14(10-11)23-17(16(26)27-3,18(19,20)21)24-15(25)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,22,23)(H,24,25)
InChIKeyIMGRMFPVLFHBFO-UHFFFAOYSA-N
XLogP2.97
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate with MolForge

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

Launch Full Analysis

Related Compounds

Lasmiditan
CID 11610526
3-Methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420029
N-(4,6-dimethylpyridin-2-yl)-2-phenylbutanamide
CID 2852109
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
N-(6-benzamidopyridin-2-yl)benzamide
CID 1736518
Benzamide, p-amino-N-(6-methyl-2-pyridyl)-
CID 37553
N-[6-[(1-ethylpiperidin-4-ylidene)-fluoromethyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
CID 146420010
4-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420181
2,4-difluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420182
Methyl 2-acetamido-3,3,3-trifluoro-2-((6-methylpyridin-2-yl)amino)propanoate
CID 3828498
N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate?
The IUPAC name of methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate (CID 3559132) is methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate.
What is the SMILES notation for methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate?
The canonical SMILES for methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate is COC(=O)C(NC(=O)c1ccccc1)(Nc1cc(C)cc(C)n1)C(F)(F)F.
What is the InChIKey of methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate?
The InChIKey is IMGRMFPVLFHBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-11-9-12(2)22-14(10-11)23-17(16(26)27-3,18(19,20)21)24-15(25)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate?
methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate has a molecular weight of 381.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate is sourced from PubChem (CID 3559132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).