6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C17H20N4O2 — CID 145058164

IUPAC6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCC(C)Oc1cc(-c2cccc3c2NCCC(=O)N3)cnc1N
InChIInChI=1S/C17H20N4O2/c1-10(2)23-14-8-11(9-20-17(14)18)12-4-3-5-13-16(12)19-7-6-15(22)21-13/h3-5,8-10,19H,6-7H2,1-2H3,(H2,18,20)(H,21,22)
InChIKeyXXSKFZINLGFCIK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.87
Rot. Bonds3

About 6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 145058164) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID145058164
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCC(C)Oc1cc(-c2cccc3c2NCCC(=O)N3)cnc1N
InChIInChI=1S/C17H20N4O2/c1-10(2)23-14-8-11(9-20-17(14)18)12-4-3-5-13-16(12)19-7-6-15(22)21-13/h3-5,8-10,19H,6-7H2,1-2H3,(H2,18,20)(H,21,22)
InChIKeyXXSKFZINLGFCIK-UHFFFAOYSA-N
XLogP2.87
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of 6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 145058164) is 6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is CC(C)Oc1cc(-c2cccc3c2NCCC(=O)N3)cnc1N.
What is the InChIKey of 6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is XXSKFZINLGFCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10(2)23-14-8-11(9-20-17(14)18)12-4-3-5-13-16(12)19-7-6-15(22)21-13/h3-5,8-10,19H,6-7H2,1-2H3,(H2,18,20)(H,21,22).
What are the key properties of 6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 145058164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).