6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide

C22H18N4O — CID 10226973

IUPAC6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ccc[nH]3)c2c1
InChIInChI=1S/C22H18N4O/c23-21(24)15-9-8-14-11-16(22(27)26-17-5-2-1-3-6-17)13-19(18(14)12-15)20-7-4-10-25-20/h1-13,25H,(H3,23,24)(H,26,27)
InChIKeyLUSRMEVBYMLFCN-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.37
Rot. Bonds4

About 6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide

6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide (PubChem CID 10226973) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide
PubChem CID10226973
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ccc[nH]3)c2c1
InChIInChI=1S/C22H18N4O/c23-21(24)15-9-8-14-11-16(22(27)26-17-5-2-1-3-6-17)13-19(18(14)12-15)20-7-4-10-25-20/h1-13,25H,(H3,23,24)(H,26,27)
InChIKeyLUSRMEVBYMLFCN-UHFFFAOYSA-N
XLogP4.37
TPSA94.76 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.37
H-Bond Donors ≤ 54
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-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide
CID 10225096
6-carbamimidoyl-4-(5-ethylsulfonylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide;hydrochloride
CID 10140846
6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
CID 11244460
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 10278413
6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
CID 174421844
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide
CID 11473486
5-carbamimidoyl-2-methyl-N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 70068069
methyl N-[3-[[4-(aminomethyl)phenyl]carbamoyl]-7-carbamimidoylnaphthalen-1-yl]carbamate;bis(2,2,2-trifluoroacetic acid)
CID 74763879
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 10291466
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877

Frequently Asked Questions

What is the IUPAC name of 6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide (CID 10226973) is 6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide is [H]/N=C(\N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ccc[nH]3)c2c1.
What is the InChIKey of 6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide?
The InChIKey is LUSRMEVBYMLFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-21(24)15-9-8-14-11-16(22(27)26-17-5-2-1-3-6-17)13-19(18(14)12-15)20-7-4-10-25-20/h1-13,25H,(H3,23,24)(H,26,27).
What are the key properties of 6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide?
6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamimidoyl-N-phenyl-4-(1H-pyrrol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 10226973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).