1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

C16H22N6O2 — CID 156860561

IUPAC1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESNCCCCCNc1ccn2c(N3CCC(=O)NC3=O)cnc2c1
InChIInChI=1S/C16H22N6O2/c17-6-2-1-3-7-18-12-4-8-21-13(10-12)19-11-15(21)22-9-5-14(23)20-16(22)24/h4,8,10-11,18H,1-3,5-7,9,17H2,(H,20,23,24)
InChIKeyINJGYVQKOXYGCN-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.32
Rot. Bonds7

About 1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 156860561) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID156860561
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
SMILESNCCCCCNc1ccn2c(N3CCC(=O)NC3=O)cnc2c1
InChIInChI=1S/C16H22N6O2/c17-6-2-1-3-7-18-12-4-8-21-13(10-12)19-11-15(21)22-9-5-14(23)20-16(22)24/h4,8,10-11,18H,1-3,5-7,9,17H2,(H,20,23,24)
InChIKeyINJGYVQKOXYGCN-UHFFFAOYSA-N
XLogP1.32
TPSA104.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 156860561) is 1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is NCCCCCNc1ccn2c(N3CCC(=O)NC3=O)cnc2c1.
What is the InChIKey of 1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is INJGYVQKOXYGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c17-6-2-1-3-7-18-12-4-8-21-13(10-12)19-11-15(21)22-9-5-14(23)20-16(22)24/h4,8,10-11,18H,1-3,5-7,9,17H2,(H,20,23,24).
What are the key properties of 1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?
1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(5-aminopentylamino)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 156860561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).