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

C19H16N4O2 — CID 11244460

IUPAC6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1
InChIInChI=1S/C19H16N4O2/c20-17(21)14-3-1-13-10-15(4-2-12(13)9-14)19(25)23-16-7-5-11(6-8-16)18(22)24/h1-10H,(H3,20,21)(H2,22,24)(H,23,25)
InChIKeyOZCONSDLQBPMQO-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.48
Rot. Bonds4

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

6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide (PubChem CID 11244460) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
PubChem CID11244460
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1
InChIInChI=1S/C19H16N4O2/c20-17(21)14-3-1-13-10-15(4-2-12(13)9-14)19(25)23-16-7-5-11(6-8-16)18(22)24/h1-10H,(H3,20,21)(H2,22,24)(H,23,25)
InChIKeyOZCONSDLQBPMQO-UHFFFAOYSA-N
XLogP2.48
TPSA122.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-hydroxyphenyl)naphthalene-2-carboxamide
CID 174421844
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide
CID 11473486
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 10291466
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide
CID 10226973
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-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877

Frequently Asked Questions

What is the IUPAC name of 6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide (CID 11244460) is 6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide is [H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1.
What is the InChIKey of 6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide?
The InChIKey is OZCONSDLQBPMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-17(21)14-3-1-13-10-15(4-2-12(13)9-14)19(25)23-16-7-5-11(6-8-16)18(22)24/h1-10H,(H3,20,21)(H2,22,24)(H,23,25).
What are the key properties of 6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide?
6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 11244460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).