N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide

C21H22N4O4 — CID 175574101

IUPACN-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide
SMILESNC(=O)C1(c2ccc3ccccc3c2)CCOCC1.O=C(NO)c1cnccn1
InChIInChI=1S/C16H17NO2.C5H5N3O2/c17-15(18)16(7-9-19-10-8-16)14-6-5-12-3-1-2-4-13(12)11-14;9-5(8-10)4-3-6-1-2-7-4/h1-6,11H,7-10H2,(H2,17,18);1-3,10H,(H,8,9)
InChIKeySAJGWLNGDDDKDC-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.97
Rot. Bonds3

About N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide

N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide (PubChem CID 175574101) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide
PubChem CID175574101
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide
SMILESNC(=O)C1(c2ccc3ccccc3c2)CCOCC1.O=C(NO)c1cnccn1
InChIInChI=1S/C16H17NO2.C5H5N3O2/c17-15(18)16(7-9-19-10-8-16)14-6-5-12-3-1-2-4-13(12)11-14;9-5(8-10)4-3-6-1-2-7-4/h1-6,11H,7-10H2,(H2,17,18);1-3,10H,(H,8,9)
InChIKeySAJGWLNGDDDKDC-UHFFFAOYSA-N
XLogP1.97
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide
CID 134570496
N-[2-(naphthalene-2-carbonylamino)ethyl]pyrazine-2-carboxamide
CID 8990855
N-(4-methyloxan-4-yl)pyrazine-2-carboxamide
CID 138992437
N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
CID 79039942
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
N-[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-naphthalen-2-yloxane-4-carboxamide
CID 175574114
1-isoquinolin-6-ylcyclopentane-1-carboxylic acid
CID 117355313
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]pyrazine-2-carboxamide
CID 26007494
4-[3-[4-(2-ethylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide
CID 71247960
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 120597788
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381

Frequently Asked Questions

What is the IUPAC name of N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide?
The IUPAC name of N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide (CID 175574101) is N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide?
The canonical SMILES for N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide is NC(=O)C1(c2ccc3ccccc3c2)CCOCC1.O=C(NO)c1cnccn1.
What is the InChIKey of N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide?
The InChIKey is SAJGWLNGDDDKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C5H5N3O2/c17-15(18)16(7-9-19-10-8-16)14-6-5-12-3-1-2-4-13(12)11-14;9-5(8-10)4-3-6-1-2-7-4/h1-6,11H,7-10H2,(H2,17,18);1-3,10H,(H,8,9).
What are the key properties of N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide?
N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide is sourced from PubChem (CID 175574101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).