N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide

C18H16N4O2 — CID 86585090

IUPACN-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide
SMILES[H]/N=C(\N)N(C(=O)c1cc2ccccc2cc1O)c1ccc(N)cc1
InChIInChI=1S/C18H16N4O2/c19-13-5-7-14(8-6-13)22(18(20)21)17(24)15-9-11-3-1-2-4-12(11)10-16(15)23/h1-10,23H,19H2,(H3,20,21)
InChIKeyVVJHDWMTULENQX-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.67
Rot. Bonds2

About N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide

N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide (PubChem CID 86585090) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide
PubChem CID86585090
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide
SMILES[H]/N=C(\N)N(C(=O)c1cc2ccccc2cc1O)c1ccc(N)cc1
InChIInChI=1S/C18H16N4O2/c19-13-5-7-14(8-6-13)22(18(20)21)17(24)15-9-11-3-1-2-4-12(11)10-16(15)23/h1-10,23H,19H2,(H3,20,21)
InChIKeyVVJHDWMTULENQX-UHFFFAOYSA-N
XLogP2.67
TPSA116.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-hydroxynaphthalene-2-carboxamide
CID 19317
4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid
CID 70359334
3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one
CID 117306698
3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide
CID 22590781
2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide
CID 140992627
4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 70504923
CID 69256301
CID 69256301
3-hydroxy-N-methyl-N-propylnaphthalene-2-carboxamide
CID 43624990
methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
CID 61030402
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323
3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
CID 160733684
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide (CID 86585090) is N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide is [H]/N=C(\N)N(C(=O)c1cc2ccccc2cc1O)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is VVJHDWMTULENQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-13-5-7-14(8-6-13)22(18(20)21)17(24)15-9-11-3-1-2-4-12(11)10-16(15)23/h1-10,23H,19H2,(H3,20,21).
What are the key properties of N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide?
N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-carbamimidoyl-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 86585090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).