N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide

C12H15F3N4O2 — CID 86861206

IUPACN-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
SMILESCc1cccc(NC(=O)CCNC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O2/c1-8-3-2-4-9(18-8)19-10(20)5-6-16-11(21)17-7-12(13,14)15/h2-4H,5-7H2,1H3,(H2,16,17,21)(H,18,19,20)
InChIKeyAXFFMYFLGXUJFO-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.58
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide

N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide (PubChem CID 86861206) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
PubChem CID86861206
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
SMILESCc1cccc(NC(=O)CCNC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O2/c1-8-3-2-4-9(18-8)19-10(20)5-6-16-11(21)17-7-12(13,14)15/h2-4H,5-7H2,1H3,(H2,16,17,21)(H,18,19,20)
InChIKeyAXFFMYFLGXUJFO-UHFFFAOYSA-N
XLogP1.58
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide
CID 86860055
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
2-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]pyrazole-3-carboxamide
CID 91945754
3-[[N'-methyl-N-(2-methyl-2-phenylpropyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111947925
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
N-(6-methyl-2-pyridinyl)-3-[[N'-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111871256
N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 46480468
3-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111230119
3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 110983021
5-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 155949871

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide (CID 86861206) is N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide is Cc1cccc(NC(=O)CCNC(=O)NCC(F)(F)F)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide?
The InChIKey is AXFFMYFLGXUJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-8-3-2-4-9(18-8)19-10(20)5-6-16-11(21)17-7-12(13,14)15/h2-4H,5-7H2,1H3,(H2,16,17,21)(H,18,19,20).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide?
N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide has a molecular weight of 304.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide is sourced from PubChem (CID 86861206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).