3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide

C16H19N7O2 — CID 146393281

IUPAC3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide
SMILESCCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2CC)n1
InChIInChI=1S/C16H19N7O2/c1-4-23-10-17-20-14(23)12-7-6-8-13(18-12)19-15(24)11-9-22(3)21-16(11)25-5-2/h6-10H,4-5H2,1-3H3,(H,18,19,24)
InChIKeyZLIXIYUZUWEHAM-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.74
Rot. Bonds6

About 3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide

3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide (PubChem CID 146393281) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide
PubChem CID146393281
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide
SMILESCCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2CC)n1
InChIInChI=1S/C16H19N7O2/c1-4-23-10-17-20-14(23)12-7-6-8-13(18-12)19-15(24)11-9-22(3)21-16(11)25-5-2/h6-10H,4-5H2,1-3H3,(H,18,19,24)
InChIKeyZLIXIYUZUWEHAM-UHFFFAOYSA-N
XLogP1.74
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[4-[(2S)-1,1-difluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381600
3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381583
3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381291
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146381524
N-[6-(hydrazinecarbonyl)-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381550
3-methoxy-1-(2,2,2-trifluoroethyl)-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381743
1-(2-ethoxyethyl)-5-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-6-carboxamide
CID 154991704
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
2-hydroxy-5-methoxy-N-[6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 138458852
1-(2-ethoxyethyl)-5-fluoro-N-[6-[4-(1-fluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]indole-6-carboxamide
CID 154991673
N-[6-[4-[6-[(2S)-2-methylcyclobutyl]oxyhexyl]-1,2,4-triazol-3-yl]-2-pyridinyl]propanamide
CID 142542734
1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146382061

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide (CID 146393281) is 3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide is CCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2CC)n1.
What is the InChIKey of 3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ZLIXIYUZUWEHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-4-23-10-17-20-14(23)12-7-6-8-13(18-12)19-15(24)11-9-22(3)21-16(11)25-5-2/h6-10H,4-5H2,1-3H3,(H,18,19,24).
What are the key properties of 3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide?
3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 146393281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).