4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide

C13H17N5O2 — CID 66191314

IUPAC4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide
SMILES[N-]=[N+]=NCCCNC1(C(N)=O)CCOc2ccccc21
InChIInChI=1S/C13H17N5O2/c14-12(19)13(16-7-3-8-17-18-15)6-9-20-11-5-2-1-4-10(11)13/h1-2,4-5,16H,3,6-9H2,(H2,14,19)
InChIKeyLYSPGXIINVYAPO-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.44
Rot. Bonds6

About 4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide

4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide (PubChem CID 66191314) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide
PubChem CID66191314
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide
SMILES[N-]=[N+]=NCCCNC1(C(N)=O)CCOc2ccccc21
InChIInChI=1S/C13H17N5O2/c14-12(19)13(16-7-3-8-17-18-15)6-9-20-11-5-2-1-4-10(11)13/h1-2,4-5,16H,3,6-9H2,(H2,14,19)
InChIKeyLYSPGXIINVYAPO-UHFFFAOYSA-N
XLogP1.44
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of 4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide (CID 66191314) is 4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for 4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for 4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide is [N-]=[N+]=NCCCNC1(C(N)=O)CCOc2ccccc21.
What is the InChIKey of 4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide?
The InChIKey is LYSPGXIINVYAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-12(19)13(16-7-3-8-17-18-15)6-9-20-11-5-2-1-4-10(11)13/h1-2,4-5,16H,3,6-9H2,(H2,14,19).
What are the key properties of 4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide?
4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidopropylamino)-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 66191314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).