6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide

C15H19N5O2 — CID 86980602

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C15H19N5O2/c1-4-16-14(21)9-18-15(22)12-5-6-13(17-8-12)20-11(3)7-10(2)19-20/h5-8H,4,9H2,1-3H3,(H,16,21)(H,18,22)
InChIKeyDEJAQIWTOFSIRB-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.75
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 86980602) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID86980602
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C15H19N5O2/c1-4-16-14(21)9-18-15(22)12-5-6-13(17-8-12)20-11(3)7-10(2)19-20/h5-8H,4,9H2,1-3H3,(H,16,21)(H,18,22)
InChIKeyDEJAQIWTOFSIRB-UHFFFAOYSA-N
XLogP0.75
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide (CID 86980602) is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide is CCNC(=O)CNC(=O)c1ccc(-n2nc(C)cc2C)nc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is DEJAQIWTOFSIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-4-16-14(21)9-18-15(22)12-5-6-13(17-8-12)20-11(3)7-10(2)19-20/h5-8H,4,9H2,1-3H3,(H,16,21)(H,18,22).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 86980602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).