6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide

C20H23F3N4O3 — CID 147802395

IUPAC6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(O[C@H](C)C(F)(F)F)nc2)nc(CC(=O)C(C)C)n1
InChIInChI=1S/C20H23F3N4O3/c1-11(2)16(28)8-17-26-12(3)7-15(27-17)19(29)25-10-14-5-6-18(24-9-14)30-13(4)20(21,22)23/h5-7,9,11,13H,8,10H2,1-4H3,(H,25,29)/t13-/m1/s1
InChIKeyHLTNBMBRMWIVRJ-CYBMUJFWSA-N
MW424.42 g/mol
LogP3.21
Rot. Bonds8

About 6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide

6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide (PubChem CID 147802395) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide
PubChem CID147802395
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Name6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(O[C@H](C)C(F)(F)F)nc2)nc(CC(=O)C(C)C)n1
InChIInChI=1S/C20H23F3N4O3/c1-11(2)16(28)8-17-26-12(3)7-15(27-17)19(29)25-10-14-5-6-18(24-9-14)30-13(4)20(21,22)23/h5-7,9,11,13H,8,10H2,1-4H3,(H,25,29)/t13-/m1/s1
InChIKeyHLTNBMBRMWIVRJ-CYBMUJFWSA-N
XLogP3.21
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 67508666
2-acetamido-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510299
N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide
CID 158079738
2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 158894130
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 162566306
N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275313
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509543
6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
CID 162043031
2-methyl-6-(2-methylpropanoylamino)-N-[[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426679
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 157486902
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide (CID 147802395) is 6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(O[C@H](C)C(F)(F)F)nc2)nc(CC(=O)C(C)C)n1.
What is the InChIKey of 6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is HLTNBMBRMWIVRJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-11(2)16(28)8-17-26-12(3)7-15(27-17)19(29)25-10-14-5-6-18(24-9-14)30-13(4)20(21,22)23/h5-7,9,11,13H,8,10H2,1-4H3,(H,25,29)/t13-/m1/s1.
What are the key properties of 6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 147802395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).