N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C15H16F3N5O — CID 122354035

IUPACN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2)nc(N(C)C)n1
InChIInChI=1S/C15H16F3N5O/c1-9-6-11(22-14(21-9)23(2)3)8-20-13(24)10-4-5-12(19-7-10)15(16,17)18/h4-7H,8H2,1-3H3,(H,20,24)
InChIKeyHVWAUABISWEPRE-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.19
Rot. Bonds4

About N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 122354035) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID122354035
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2)nc(N(C)C)n1
InChIInChI=1S/C15H16F3N5O/c1-9-6-11(22-14(21-9)23(2)3)8-20-13(24)10-4-5-12(19-7-10)15(16,17)18/h4-7H,8H2,1-3H3,(H,20,24)
InChIKeyHVWAUABISWEPRE-UHFFFAOYSA-N
XLogP2.19
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
CID 72718411
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
CID 122353929
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122354189
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122317863
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47250304
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 122354191
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122262550
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide
CID 72718413
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122324641
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 122354385

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 122354035) is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2)nc(N(C)C)n1.
What is the InChIKey of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HVWAUABISWEPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-9-6-11(22-14(21-9)23(2)3)8-20-13(24)10-4-5-12(19-7-10)15(16,17)18/h4-7H,8H2,1-3H3,(H,20,24).
What are the key properties of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 122354035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).