3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide

C17H16N4O2 — CID 37105658

IUPAC3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCNc1cnccn1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H16N4O2/c22-15-10-13-4-2-1-3-12(13)9-14(15)17(23)21-8-7-20-16-11-18-5-6-19-16/h1-6,9-11,22H,7-8H2,(H,19,20)(H,21,23)
InChIKeyOOEMGSIRVSCJEC-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.18
Rot. Bonds5

About 3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide

3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide (PubChem CID 37105658) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide
PubChem CID37105658
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCNc1cnccn1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H16N4O2/c22-15-10-13-4-2-1-3-12(13)9-14(15)17(23)21-8-7-20-16-11-18-5-6-19-16/h1-6,9-11,22H,7-8H2,(H,19,20)(H,21,23)
InChIKeyOOEMGSIRVSCJEC-UHFFFAOYSA-N
XLogP2.18
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
6-methyl-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-2-carboxamide
CID 38583271
2,5-dimethyl-1-(2-methylphenyl)-N-[2-(pyrazin-2-ylamino)ethyl]pyrrole-3-carboxamide
CID 51125389
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide
CID 57112556
N-[2-(naphthalene-2-carbonylamino)ethyl]pyrazine-2-carboxamide
CID 8990855
2-(methylamino)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
CID 119851728
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide (CID 37105658) is 3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide is O=C(NCCNc1cnccn1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide?
The InChIKey is OOEMGSIRVSCJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-15-10-13-4-2-1-3-12(13)9-14(15)17(23)21-8-7-20-16-11-18-5-6-19-16/h1-6,9-11,22H,7-8H2,(H,19,20)(H,21,23).
What are the key properties of 3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide?
3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(pyrazin-2-ylamino)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 37105658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).