2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide

C22H21N5O3 — CID 135752941

IUPAC2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C22H21N5O3/c1-4-30-17-10-9-15-7-5-6-8-16(15)20(17)21(29)24-18-11-14(3)26-27(18)22-23-13(2)12-19(28)25-22/h5-12H,4H2,1-3H3,(H,24,29)(H,23,25,28)
InChIKeyPWXXGSBTJVBIGU-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.38
Rot. Bonds5

About 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide

2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide (PubChem CID 135752941) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
PubChem CID135752941
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C22H21N5O3/c1-4-30-17-10-9-15-7-5-6-8-16(15)20(17)21(29)24-18-11-14(3)26-27(18)22-23-13(2)12-19(28)25-22/h5-12H,4H2,1-3H3,(H,24,29)(H,23,25,28)
InChIKeyPWXXGSBTJVBIGU-UHFFFAOYSA-N
XLogP3.38
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide (CID 135752941) is 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is PWXXGSBTJVBIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-4-30-17-10-9-15-7-5-6-8-16(15)20(17)21(29)24-18-11-14(3)26-27(18)22-23-13(2)12-19(28)25-22/h5-12H,4H2,1-3H3,(H,24,29)(H,23,25,28).
What are the key properties of 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 135752941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).