N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide

C18H15N3O — CID 151305092

IUPACN-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15N3O/c19-17(20)13-7-9-16(10-8-13)21-18(22)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H3,19,20)(H,21,22)
InChIKeyODFPDZVNZUICTO-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.38
Rot. Bonds3

About N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide

N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide (PubChem CID 151305092) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
PubChem CID151305092
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15N3O/c19-17(20)13-7-9-16(10-8-13)21-18(22)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H3,19,20)(H,21,22)
InChIKeyODFPDZVNZUICTO-UHFFFAOYSA-N
XLogP3.38
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
CID 174421844
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 10291466
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide
CID 11473486
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide
CID 10226973

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide (CID 151305092) is N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide is [H]/N=C(\N)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide?
The InChIKey is ODFPDZVNZUICTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-17(20)13-7-9-16(10-8-13)21-18(22)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H3,19,20)(H,21,22).
What are the key properties of N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide?
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 151305092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).