2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide

C23H22N4O2 — CID 121196333

IUPAC2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCc1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H22N4O2/c1-3-29-21-9-8-17-6-4-5-7-20(17)22(21)23(28)25-12-16-10-18(13-24-11-16)19-14-26-27(2)15-19/h4-11,13-15H,3,12H2,1-2H3,(H,25,28)
InChIKeyFFUAEQZQNDCTQJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.96
Rot. Bonds6

About 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide

2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide (PubChem CID 121196333) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide
PubChem CID121196333
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCc1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H22N4O2/c1-3-29-21-9-8-17-6-4-5-7-20(17)22(21)23(28)25-12-16-10-18(13-24-11-16)19-14-26-27(2)15-19/h4-11,13-15H,3,12H2,1-2H3,(H,25,28)
InChIKeyFFUAEQZQNDCTQJ-UHFFFAOYSA-N
XLogP3.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide (CID 121196333) is 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCc1cncc(-c2cnn(C)c2)c1.
What is the InChIKey of 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide?
The InChIKey is FFUAEQZQNDCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-3-29-21-9-8-17-6-4-5-7-20(17)22(21)23(28)25-12-16-10-18(13-24-11-16)19-14-26-27(2)15-19/h4-11,13-15H,3,12H2,1-2H3,(H,25,28).
What are the key properties of 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide?
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 121196333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).