2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide

C22H30F3N5O3 — CID 171922998

IUPAC2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCC(C)(C)N.O=C(NCc1ccc(OCC(F)(F)F)nc1N1CCOCC1)c1ccncc1
InChIInChI=1S/C18H19F3N4O3.C4H11N/c19-18(20,21)12-28-15-2-1-14(16(24-15)25-7-9-27-10-8-25)11-23-17(26)13-3-5-22-6-4-13;1-4(2,3)5/h1-6H,7-12H2,(H,23,26);5H2,1-3H3
InChIKeyCBUZLUITKCTSHJ-UHFFFAOYSA-N
MW469.51 g/mol
LogP2.93
Rot. Bonds6

About 2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide

2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 171922998) has the molecular formula C22H30F3N5O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is 2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID171922998
Molecular FormulaC22H30F3N5O3
Molecular Weight469.51 g/mol
Exact Mass469.23
IUPAC Name2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCC(C)(C)N.O=C(NCc1ccc(OCC(F)(F)F)nc1N1CCOCC1)c1ccncc1
InChIInChI=1S/C18H19F3N4O3.C4H11N/c19-18(20,21)12-28-15-2-1-14(16(24-15)25-7-9-27-10-8-25)11-23-17(26)13-3-5-22-6-4-13;1-4(2,3)5/h1-6H,7-12H2,(H,23,26);5H2,1-3H3
InChIKeyCBUZLUITKCTSHJ-UHFFFAOYSA-N
XLogP2.93
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

5-carbamimidoyl-2-methyl-N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 150450021
N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 67509130
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30357957
2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 48986231
N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine
CID 171929449
2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
CID 175300278
N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 94022187
4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide
CID 138043224
2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 171928236
tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 159500993
5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 136554169

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 171922998) is 2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is CC(C)(C)N.O=C(NCc1ccc(OCC(F)(F)F)nc1N1CCOCC1)c1ccncc1.
What is the InChIKey of 2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is CBUZLUITKCTSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3.C4H11N/c19-18(20,21)12-28-15-2-1-14(16(24-15)25-7-9-27-10-8-25)11-23-17(26)13-3-5-22-6-4-13;1-4(2,3)5/h1-6H,7-12H2,(H,23,26);5H2,1-3H3.
What are the key properties of 2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;N-[[2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 171922998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).