N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C17H21F3N4O4 — CID 154884493

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNc1ncccc1C(=O)NCCCc1c(C)noc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N4O2.C2HF3O2/c1-10-12(11(2)21-19-10)6-4-9-18-15(20)13-7-5-8-17-14(13)16-3;3-2(4,5)1(6)7/h5,7-8H,4,6,9H2,1-3H3,(H,16,17)(H,18,20);(H,6,7)
InChIKeyNACNRMXUHTUAKI-UHFFFAOYSA-N
MW402.37 g/mol
LogP2.72
Rot. Bonds6

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154884493) has the molecular formula C17H21F3N4O4 and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154884493
Molecular FormulaC17H21F3N4O4
Molecular Weight402.37 g/mol
Exact Mass402.15
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNc1ncccc1C(=O)NCCCc1c(C)noc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N4O2.C2HF3O2/c1-10-12(11(2)21-19-10)6-4-9-18-15(20)13-7-5-8-17-14(13)16-3;3-2(4,5)1(6)7/h5,7-8H,4,6,9H2,1-3H3,(H,16,17)(H,18,20);(H,6,7)
InChIKeyNACNRMXUHTUAKI-UHFFFAOYSA-N
XLogP2.72
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133347534
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106408720
N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62615627
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide
CID 35425242
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
2-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106050180
propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 133470631
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 154884493) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is CNc1ncccc1C(=O)NCCCc1c(C)noc1C.O=C(O)C(F)(F)F.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NACNRMXUHTUAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.C2HF3O2/c1-10-12(11(2)21-19-10)6-4-9-18-15(20)13-7-5-8-17-14(13)16-3;3-2(4,5)1(6)7/h5,7-8H,4,6,9H2,1-3H3,(H,16,17)(H,18,20);(H,6,7).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 402.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154884493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).