6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide

C18H15N3O2 — CID 174421844

IUPAC6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccc(O)cc3)ccc2c1
InChIInChI=1S/C18H15N3O2/c19-17(20)13-3-1-12-10-14(4-2-11(12)9-13)18(23)21-15-5-7-16(22)8-6-15/h1-10,22H,(H3,19,20)(H,21,23)
InChIKeyZRECABFNLFORPP-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.08
Rot. Bonds3

About 6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide

6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide (PubChem CID 174421844) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
PubChem CID174421844
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccc(O)cc3)ccc2c1
InChIInChI=1S/C18H15N3O2/c19-17(20)13-3-1-12-10-14(4-2-11(12)9-13)18(23)21-15-5-7-16(22)8-6-15/h1-10,22H,(H3,19,20)(H,21,23)
InChIKeyZRECABFNLFORPP-UHFFFAOYSA-N
XLogP3.08
TPSA99.20 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
CID 11244460
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 10291466
6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide
CID 11473486
N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide
CID 118728727
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide
CID 141400871
3-[4-[(6-carbamimidoylnaphthalen-2-yl)carbamoyl]phenyl]-2-oxo-4H-imidazole-5-carboxylic acid
CID 150656307
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide
CID 10226973
4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
CID 6452760

Frequently Asked Questions

What is the IUPAC name of 6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide (CID 174421844) is 6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide is [H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccc(O)cc3)ccc2c1.
What is the InChIKey of 6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide?
The InChIKey is ZRECABFNLFORPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-17(20)13-3-1-12-10-14(4-2-11(12)9-13)18(23)21-15-5-7-16(22)8-6-15/h1-10,22H,(H3,19,20)(H,21,23).
What are the key properties of 6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide?
6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 174421844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).