3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C20H20F3N5O — CID 71694746

IUPAC3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCCn1c(C)nc(NCc2ccncc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N5O/c1-3-28-13(2)26-18(25-12-14-7-9-24-10-8-14)17(28)19(29)27-16-6-4-5-15(11-16)20(21,22)23/h4-11,25H,3,12H2,1-2H3,(H,27,29)
InChIKeyMYCJAKZSZQBBPG-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.49
Rot. Bonds6

About 3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 71694746) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID71694746
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCCn1c(C)nc(NCc2ccncc2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N5O/c1-3-28-13(2)26-18(25-12-14-7-9-24-10-8-14)17(28)19(29)27-16-6-4-5-15(11-16)20(21,22)23/h4-11,25H,3,12H2,1-2H3,(H,27,29)
InChIKeyMYCJAKZSZQBBPG-UHFFFAOYSA-N
XLogP4.49
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213474
6-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109121320
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233
1-[3-[5-methyl-4-(pyridin-4-ylmethylamino)pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 146621654
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 2807300
5-amino-3-(benzylamino)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 46948878
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562
4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365060
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1156943
5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 44564727
2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 67052446

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 71694746) is 3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is CCn1c(C)nc(NCc2ccncc2)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is MYCJAKZSZQBBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-3-28-13(2)26-18(25-12-14-7-9-24-10-8-14)17(28)19(29)27-16-6-4-5-15(11-16)20(21,22)23/h4-11,25H,3,12H2,1-2H3,(H,27,29).
What are the key properties of 3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-5-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 71694746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).