3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide

C16H13N3O2 — CID 115597396

IUPAC3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)Nc1ncccc1O
InChIInChI=1S/C16H13N3O2/c17-13-9-11-5-2-1-4-10(11)8-12(13)16(21)19-15-14(20)6-3-7-18-15/h1-9,20H,17H2,(H,18,19,21)
InChIKeyJHXRQEKZOMPLRP-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.77
Rot. Bonds2

About 3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide

3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide (PubChem CID 115597396) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide
PubChem CID115597396
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)Nc1ncccc1O
InChIInChI=1S/C16H13N3O2/c17-13-9-11-5-2-1-4-10(11)8-12(13)16(21)19-15-14(20)6-3-7-18-15/h1-9,20H,17H2,(H,18,19,21)
InChIKeyJHXRQEKZOMPLRP-UHFFFAOYSA-N
XLogP2.77
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide (CID 115597396) is 3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide is Nc1cc2ccccc2cc1C(=O)Nc1ncccc1O.
What is the InChIKey of 3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide?
The InChIKey is JHXRQEKZOMPLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-13-9-11-5-2-1-4-10(11)8-12(13)16(21)19-15-14(20)6-3-7-18-15/h1-9,20H,17H2,(H,18,19,21).
What are the key properties of 3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide?
3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115597396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).