2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide

C19H15F3N6O — CID 165108690

IUPAC2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide
SMILESCc1cc(C(F)(F)F)nc(NCC(=O)N(C)c2ccc3ncncc3c2)c1C#N
InChIInChI=1S/C19H15F3N6O/c1-11-5-16(19(20,21)22)27-18(14(11)7-23)25-9-17(29)28(2)13-3-4-15-12(6-13)8-24-10-26-15/h3-6,8,10H,9H2,1-2H3,(H,25,27)
InChIKeyZOUZKTRREGGGCG-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.30
Rot. Bonds4

About 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide

2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide (PubChem CID 165108690) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide
PubChem CID165108690
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide
SMILESCc1cc(C(F)(F)F)nc(NCC(=O)N(C)c2ccc3ncncc3c2)c1C#N
InChIInChI=1S/C19H15F3N6O/c1-11-5-16(19(20,21)22)27-18(14(11)7-23)25-9-17(29)28(2)13-3-4-15-12(6-13)8-24-10-26-15/h3-6,8,10H,9H2,1-2H3,(H,25,27)
InChIKeyZOUZKTRREGGGCG-UHFFFAOYSA-N
XLogP3.30
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide with MolForge

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Related Compounds

N-(1-benzothiophen-5-yl)-2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methylacetamide
CID 165002548
N'-[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide
CID 10803099
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N,N-diphenylacetamide
CID 1230643
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]acetamide
CID 1229880
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide
CID 78911718
ethyl 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 56691280
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
N-(1,3-benzothiazol-2-yl)-2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 169107325
2-[(5-pyridin-4-ylpyrimidin-4-yl)methylamino]-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
CID 154672755
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 53269873
2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130681330
2-[[2-cyano-3-methyl-5-(trifluoromethyl)phenoxy]methyl]-1,3-benzoxazole-6-carboxylic acid
CID 177195214

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide?
The IUPAC name of 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide (CID 165108690) is 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide.
What is the SMILES notation for 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide?
The canonical SMILES for 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide is Cc1cc(C(F)(F)F)nc(NCC(=O)N(C)c2ccc3ncncc3c2)c1C#N.
What is the InChIKey of 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide?
The InChIKey is ZOUZKTRREGGGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-11-5-16(19(20,21)22)27-18(14(11)7-23)25-9-17(29)28(2)13-3-4-15-12(6-13)8-24-10-26-15/h3-6,8,10H,9H2,1-2H3,(H,25,27).
What are the key properties of 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide?
2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide has a molecular weight of 400.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]-N-methyl-N-quinazolin-6-ylacetamide is sourced from PubChem (CID 165108690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).