2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide

C21H23F3N4O3 — CID 67511008

IUPAC2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(OCC(F)(F)F)cc2C)cc(NC(=O)CC2CC2)n1
InChIInChI=1S/C21H23F3N4O3/c1-12-5-19(31-11-21(22,23)24)25-9-16(12)10-26-20(30)15-6-13(2)27-17(8-15)28-18(29)7-14-3-4-14/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyGDORNLNEOIHGFX-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.70
Rot. Bonds8

About 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide

2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 67511008) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID67511008
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(OCC(F)(F)F)cc2C)cc(NC(=O)CC2CC2)n1
InChIInChI=1S/C21H23F3N4O3/c1-12-5-19(31-11-21(22,23)24)25-9-16(12)10-26-20(30)15-6-13(2)27-17(8-15)28-18(29)7-14-3-4-14/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyGDORNLNEOIHGFX-UHFFFAOYSA-N
XLogP3.70
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510173
2-acetamido-6-methyl-N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511047
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67510976
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide
CID 159507853
6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine
CID 162622233
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67511343
2-methyl-6-(2-methylpropanoylamino)-N-[[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67511532
2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67509549
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509543
2-(cyclopentanecarbonylamino)-6-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67509297
2-methyl-6-(propanoylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67508904
2-methyl-6-(2-methylpropanoylamino)-N-[[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426679

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 67511008) is 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2cnc(OCC(F)(F)F)cc2C)cc(NC(=O)CC2CC2)n1.
What is the InChIKey of 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is GDORNLNEOIHGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-12-5-19(31-11-21(22,23)24)25-9-16(12)10-26-20(30)15-6-13(2)27-17(8-15)28-18(29)7-14-3-4-14/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3,(H,26,30)(H,27,28,29).
What are the key properties of 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 67511008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).