4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide

C16H15IN6O — CID 21196389

IUPAC4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
SMILESCN1CCc2ncc(NC(=O)c3ccc(N=[N+]=[N-])c(I)c3)cc2C1
InChIInChI=1S/C16H15IN6O/c1-23-5-4-14-11(9-23)6-12(8-19-14)20-16(24)10-2-3-15(21-22-18)13(17)7-10/h2-3,6-8H,4-5,9H2,1H3,(H,20,24)
InChIKeyFBQJHKWHOXKOPL-UHFFFAOYSA-N
MW434.24 g/mol
LogP3.87
Rot. Bonds3

About 4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide

4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide (PubChem CID 21196389) has the molecular formula C16H15IN6O and a molecular weight of 434.24 g/mol. Its IUPAC name is 4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
PubChem CID21196389
Molecular FormulaC16H15IN6O
Molecular Weight434.24 g/mol
Exact Mass434.04
IUPAC Name4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
SMILESCN1CCc2ncc(NC(=O)c3ccc(N=[N+]=[N-])c(I)c3)cc2C1
InChIInChI=1S/C16H15IN6O/c1-23-5-4-14-11(9-23)6-12(8-19-14)20-16(24)10-2-3-15(21-22-18)13(17)7-10/h2-3,6-8H,4-5,9H2,1H3,(H,20,24)
InChIKeyFBQJHKWHOXKOPL-UHFFFAOYSA-N
XLogP3.87
TPSA93.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(2,2-dimethylpropanoyl)-2-methoxy-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide;hydrochloride
CID 70285027
tert-butyl 7-[(4-azidobenzoyl)amino]-5-iodo-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 22597847
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
CID 172888003
1-methyl-N-quinolin-3-yl-2,3-dihydroindole-5-carboxamide
CID 10447706
4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597840
4-(4-chlorophenyl)-N-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-8-yl)benzamide
CID 22340484
4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide
CID 154801089
N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide
CID 136520957
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122299077
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2,2,2-trifluoroacetyl)benzamide
CID 22597792
3-(2,2-dimethylpropanoyl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;hydrochloride
CID 142644342

Frequently Asked Questions

What is the IUPAC name of 4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide?
The IUPAC name of 4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide (CID 21196389) is 4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide.
What is the SMILES notation for 4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide?
The canonical SMILES for 4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide is CN1CCc2ncc(NC(=O)c3ccc(N=[N+]=[N-])c(I)c3)cc2C1.
What is the InChIKey of 4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide?
The InChIKey is FBQJHKWHOXKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN6O/c1-23-5-4-14-11(9-23)6-12(8-19-14)20-16(24)10-2-3-15(21-22-18)13(17)7-10/h2-3,6-8H,4-5,9H2,1H3,(H,20,24).
What are the key properties of 4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide?
4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide has a molecular weight of 434.24 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-3-iodo-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide is sourced from PubChem (CID 21196389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).