2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide

C17H19N7O2 — CID 122328406

IUPAC2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCNc1cc(-n2ccc(C)n2)ncn1
InChIInChI=1S/C17H19N7O2/c1-12-5-9-24(23-12)15-10-14(21-11-22-15)18-7-8-19-16(25)13-4-3-6-20-17(13)26-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,25)(H,18,21,22)
InChIKeyLAPGFTGLDCNJCR-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.22
Rot. Bonds7

About 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide

2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 122328406) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
PubChem CID122328406
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCNc1cc(-n2ccc(C)n2)ncn1
InChIInChI=1S/C17H19N7O2/c1-12-5-9-24(23-12)15-10-14(21-11-22-15)18-7-8-19-16(25)13-4-3-6-20-17(13)26-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,25)(H,18,21,22)
InChIKeyLAPGFTGLDCNJCR-UHFFFAOYSA-N
XLogP1.22
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide (CID 122328406) is 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide is COc1ncccc1C(=O)NCCNc1cc(-n2ccc(C)n2)ncn1.
What is the InChIKey of 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is LAPGFTGLDCNJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-12-5-9-24(23-12)15-10-14(21-11-22-15)18-7-8-19-16(25)13-4-3-6-20-17(13)26-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,25)(H,18,21,22).
What are the key properties of 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide?
2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 122328406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).