N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide

C17H21N5O3 — CID 177467285

IUPACN-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NCCCN=[N+]=[N-])c(=O)oc2c1
InChIInChI=1S/C17H21N5O3/c1-3-22(4-2)13-7-6-12-10-14(17(24)25-15(12)11-13)16(23)19-8-5-9-20-21-18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,23)
InChIKeyYVZATQLLQYVBTG-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.07
Rot. Bonds8

About N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide

N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide (PubChem CID 177467285) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
PubChem CID177467285
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NCCCN=[N+]=[N-])c(=O)oc2c1
InChIInChI=1S/C17H21N5O3/c1-3-22(4-2)13-7-6-12-10-14(17(24)25-15(12)11-13)16(23)19-8-5-9-20-21-18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,23)
InChIKeyYVZATQLLQYVBTG-UHFFFAOYSA-N
XLogP3.07
TPSA111.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]butyl dihydrogen phosphate
CID 25193373
7-(diethylamino)-N-[5-(methylamino)-6-oxoheptyl]-2-oxochromene-3-carboxamide
CID 58473750
7-(diethylamino)-N-[2-(hexanoylamino)ethyl]-2-oxochromene-3-carboxamide
CID 146294501
deuterium monohydride;7-(diethylamino)-2-oxochromene-3-carboxylic acid;7-(diethylamino)-2-oxo-N-(3-triethoxysilylpropyl)chromene-3-carboxamide
CID 162027729
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-(diethylamino)-2-oxo-N-[(4Z,7Z,10Z,13Z)-19,19,19-trifluoro-18-oxononadeca-4,7,10,13-tetraenyl]chromene-3-carboxamide
CID 162539974
N-(5-amino-7,7-dimethyl-6-methylideneoctyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 123776814
7-(diethylamino)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]chromene-3-carboxamide
CID 3231416
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 159081950
6-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 146446961
7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1152097

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide (CID 177467285) is N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)NCCCN=[N+]=[N-])c(=O)oc2c1.
What is the InChIKey of N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide?
The InChIKey is YVZATQLLQYVBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-3-22(4-2)13-7-6-12-10-14(17(24)25-15(12)11-13)16(23)19-8-5-9-20-21-18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,23).
What are the key properties of N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide?
N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 177467285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).