1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide

C16H15N3O2 — CID 63237601

IUPAC1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C16H15N3O2/c1-19-9-8-17-14(19)10-18-16(21)13-7-6-11-4-2-3-5-12(11)15(13)20/h2-9,20H,10H2,1H3,(H,18,21)
InChIKeyWLSDNFXWVXSILI-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.21
Rot. Bonds3

About 1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide

1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide (PubChem CID 63237601) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide
PubChem CID63237601
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C16H15N3O2/c1-19-9-8-17-14(19)10-18-16(21)13-7-6-11-4-2-3-5-12(11)15(13)20/h2-9,20H,10H2,1H3,(H,18,21)
InChIKeyWLSDNFXWVXSILI-UHFFFAOYSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide (CID 63237601) is 1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide is Cn1ccnc1CNC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide?
The InChIKey is WLSDNFXWVXSILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19-9-8-17-14(19)10-18-16(21)13-7-6-11-4-2-3-5-12(11)15(13)20/h2-9,20H,10H2,1H3,(H,18,21).
What are the key properties of 1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide?
1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 63237601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).