2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide

C20H21F3N4O4 — CID 67509039

IUPAC2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide
SMILESCOc1nc(OCC(F)(F)F)ccc1CNC(=O)c1cc(C)nc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H21F3N4O4/c1-11-7-13(8-15(25-11)18(29)26-14-4-5-14)17(28)24-9-12-3-6-16(27-19(12)30-2)31-10-20(21,22)23/h3,6-8,14H,4-5,9-10H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyLOZSKIRGQBCIPV-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.56
Rot. Bonds8

About 2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide

2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide (PubChem CID 67509039) has the molecular formula C20H21F3N4O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide
PubChem CID67509039
Molecular FormulaC20H21F3N4O4
Molecular Weight438.41 g/mol
Exact Mass438.15
IUPAC Name2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide
SMILESCOc1nc(OCC(F)(F)F)ccc1CNC(=O)c1cc(C)nc(C(=O)NC2CC2)c1
InChIInChI=1S/C20H21F3N4O4/c1-11-7-13(8-15(25-11)18(29)26-14-4-5-14)17(28)24-9-12-3-6-16(27-19(12)30-2)31-10-20(21,22)23/h3,6-8,14H,4-5,9-10H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyLOZSKIRGQBCIPV-UHFFFAOYSA-N
XLogP2.56
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide with MolForge

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Related Compounds

2-acetamido-6-methyl-N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511047
2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510173
2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511008
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide
CID 159507853
4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229368
2-acetamido-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67511302
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527
N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 24737491
tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 159500993
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337
4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 174764945

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide (CID 67509039) is 2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide is COc1nc(OCC(F)(F)F)ccc1CNC(=O)c1cc(C)nc(C(=O)NC2CC2)c1.
What is the InChIKey of 2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide?
The InChIKey is LOZSKIRGQBCIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4/c1-11-7-13(8-15(25-11)18(29)26-14-4-5-14)17(28)24-9-12-3-6-16(27-19(12)30-2)31-10-20(21,22)23/h3,6-8,14H,4-5,9-10H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of 2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide?
2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide has a molecular weight of 438.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-[[2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 67509039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).