7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide

C20H19N3O3 — CID 10291466

IUPAC7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2ccc(C(=O)Nc3cc(OC)cc(OC)c3)cc2c1
InChIInChI=1S/C20H19N3O3/c1-25-17-9-16(10-18(11-17)26-2)23-20(24)14-6-4-12-3-5-13(19(21)22)7-15(12)8-14/h3-11H,1-2H3,(H3,21,22)(H,23,24)
InChIKeyQYHNQIYUBZPQTA-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.39
Rot. Bonds5

About 7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide

7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide (PubChem CID 10291466) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
PubChem CID10291466
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2ccc(C(=O)Nc3cc(OC)cc(OC)c3)cc2c1
InChIInChI=1S/C20H19N3O3/c1-25-17-9-16(10-18(11-17)26-2)23-20(24)14-6-4-12-3-5-13(19(21)22)7-15(12)8-14/h3-11H,1-2H3,(H3,21,22)(H,23,24)
InChIKeyQYHNQIYUBZPQTA-UHFFFAOYSA-N
XLogP3.39
TPSA97.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
CID 11244460
6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide
CID 11473486
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
CID 174421844
6-methoxynaphthalene-2-carboximidamide
CID 3274917
4-(carbamoylamino)-N-(3,5-dimethoxyphenyl)benzamide
CID 4786525
N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide
CID 70059760
4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
CID 6452760
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate
CID 10904773
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645

Frequently Asked Questions

What is the IUPAC name of 7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide (CID 10291466) is 7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide is [H]/N=C(\N)c1ccc2ccc(C(=O)Nc3cc(OC)cc(OC)c3)cc2c1.
What is the InChIKey of 7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is QYHNQIYUBZPQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-17-9-16(10-18(11-17)26-2)23-20(24)14-6-4-12-3-5-13(19(21)22)7-15(12)8-14/h3-11H,1-2H3,(H3,21,22)(H,23,24).
What are the key properties of 7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide?
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 10291466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).