N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C19H28F3N3O3 — CID 175806236

IUPACN-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOCC(C)(C)NCc1cc(NC(=O)C2CC(C)C(C)(C(F)(F)F)O2)ccn1
InChIInChI=1S/C19H28F3N3O3/c1-12-8-15(28-18(12,4)19(20,21)22)16(26)25-13-6-7-23-14(9-13)10-24-17(2,3)11-27-5/h6-7,9,12,15,24H,8,10-11H2,1-5H3,(H,23,25,26)
InChIKeyRRSIKGZTQWHGOD-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.28
Rot. Bonds7

About N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 175806236) has the molecular formula C19H28F3N3O3 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID175806236
Molecular FormulaC19H28F3N3O3
Molecular Weight403.45 g/mol
Exact Mass403.21
IUPAC NameN-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOCC(C)(C)NCc1cc(NC(=O)C2CC(C)C(C)(C(F)(F)F)O2)ccn1
InChIInChI=1S/C19H28F3N3O3/c1-12-8-15(28-18(12,4)19(20,21)22)16(26)25-13-6-7-23-14(9-13)10-24-17(2,3)11-27-5/h6-7,9,12,15,24H,8,10-11H2,1-5H3,(H,23,25,26)
InChIKeyRRSIKGZTQWHGOD-UHFFFAOYSA-N
XLogP3.28
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 175806236) is N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is COCC(C)(C)NCc1cc(NC(=O)C2CC(C)C(C)(C(F)(F)F)O2)ccn1.
What is the InChIKey of N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is RRSIKGZTQWHGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O3/c1-12-8-15(28-18(12,4)19(20,21)22)16(26)25-13-6-7-23-14(9-13)10-24-17(2,3)11-27-5/h6-7,9,12,15,24H,8,10-11H2,1-5H3,(H,23,25,26).
What are the key properties of N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1-methoxy-2-methylpropan-2-yl)amino]methyl]-4-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 175806236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).