1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide

C24H20N2O2 — CID 1075603

IUPAC1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc2ccccc12
InChIInChI=1S/C24H20N2O2/c1-28-23-21-5-3-2-4-19(21)8-11-22(23)24(27)26-20-9-6-17(7-10-20)16-18-12-14-25-15-13-18/h2-15H,16H2,1H3,(H,26,27)
InChIKeyUEYVGLOXNLBJLK-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.09
Rot. Bonds5

About 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide

1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 1075603) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide
PubChem CID1075603
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc2ccccc12
InChIInChI=1S/C24H20N2O2/c1-28-23-21-5-3-2-4-19(21)8-11-22(23)24(27)26-20-9-6-17(7-10-20)16-18-12-14-25-15-13-18/h2-15H,16H2,1H3,(H,26,27)
InChIKeyUEYVGLOXNLBJLK-UHFFFAOYSA-N
XLogP5.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide (CID 1075603) is 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide is COc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc2ccccc12.
What is the InChIKey of 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is UEYVGLOXNLBJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-28-23-21-5-3-2-4-19(21)8-11-22(23)24(27)26-20-9-6-17(7-10-20)16-18-12-14-25-15-13-18/h2-15H,16H2,1H3,(H,26,27).
What are the key properties of 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 1075603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).