2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide

C20H17N5O2 — CID 71805330

IUPAC2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C20H17N5O2/c1-2-27-16-9-8-14-6-3-4-7-15(14)19(16)20(26)24-17-12-18(22-13-21-17)25-11-5-10-23-25/h3-13H,2H2,1H3,(H,21,22,24,26)
InChIKeyTWSHJXAFCKPMJV-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.47
Rot. Bonds5

About 2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide

2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide (PubChem CID 71805330) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide
PubChem CID71805330
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C20H17N5O2/c1-2-27-16-9-8-14-6-3-4-7-15(14)19(16)20(26)24-17-12-18(22-13-21-17)25-11-5-10-23-25/h3-13H,2H2,1H3,(H,21,22,24,26)
InChIKeyTWSHJXAFCKPMJV-UHFFFAOYSA-N
XLogP3.47
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide (CID 71805330) is 2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1cc(-n2cccn2)ncn1.
What is the InChIKey of 2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide?
The InChIKey is TWSHJXAFCKPMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-27-16-9-8-14-6-3-4-7-15(14)19(16)20(26)24-17-12-18(22-13-21-17)25-11-5-10-23-25/h3-13H,2H2,1H3,(H,21,22,24,26).
What are the key properties of 2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide?
2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 71805330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).