2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide

C29H34F6N4O3 — CID 139313813

IUPAC2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide
SMILESCC(C)c1ccc(C2=C(CNC(=O)CN(C)C)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)nc1
InChIInChI=1S/C29H34F6N4O3/c1-18(2)19-6-11-24(36-15-19)22-14-27(29(33,34)35,38-26(41)23(22)16-37-25(40)17-39(3)4)20-7-9-21(10-8-20)42-13-5-12-28(30,31)32/h6-11,15,18H,5,12-14,16-17H2,1-4H3,(H,37,40)(H,38,41)/t27-/m0/s1
InChIKeyQDUMWLXEZUBHGU-MHZLTWQESA-N
MW600.60 g/mol
LogP5.34
Rot. Bonds11

About 2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide

2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide (PubChem CID 139313813) has the molecular formula C29H34F6N4O3 and a molecular weight of 600.60 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide
PubChem CID139313813
Molecular FormulaC29H34F6N4O3
Molecular Weight600.60 g/mol
Exact Mass600.25
IUPAC Name2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide
SMILESCC(C)c1ccc(C2=C(CNC(=O)CN(C)C)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)nc1
InChIInChI=1S/C29H34F6N4O3/c1-18(2)19-6-11-24(36-15-19)22-14-27(29(33,34)35,38-26(41)23(22)16-37-25(40)17-39(3)4)20-7-9-21(10-8-20)42-13-5-12-28(30,31)32/h6-11,15,18H,5,12-14,16-17H2,1-4H3,(H,37,40)(H,38,41)/t27-/m0/s1
InChIKeyQDUMWLXEZUBHGU-MHZLTWQESA-N
XLogP5.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.60
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide 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 2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide (CID 139313813) is 2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide is CC(C)c1ccc(C2=C(CNC(=O)CN(C)C)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)nc1.
What is the InChIKey of 2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide?
The InChIKey is QDUMWLXEZUBHGU-MHZLTWQESA-N. The full InChI is InChI=1S/C29H34F6N4O3/c1-18(2)19-6-11-24(36-15-19)22-14-27(29(33,34)35,38-26(41)23(22)16-37-25(40)17-39(3)4)20-7-9-21(10-8-20)42-13-5-12-28(30,31)32/h6-11,15,18H,5,12-14,16-17H2,1-4H3,(H,37,40)(H,38,41)/t27-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide?
2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide has a molecular weight of 600.60 g/mol, XLogP of 5.34, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[(2S)-6-oxo-4-(5-propan-2-yl-2-pyridinyl)-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]methyl]acetamide is sourced from PubChem (CID 139313813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).