(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone

C16H19N5O — CID 24992835

IUPAC(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone
SMILESNc1ncccc1C(=O)c1cccc(N2CCCNCC2)n1
InChIInChI=1S/C16H19N5O/c17-16-12(4-2-8-19-16)15(22)13-5-1-6-14(20-13)21-10-3-7-18-9-11-21/h1-2,4-6,8,18H,3,7,9-11H2,(H2,17,19)
InChIKeyDZBJTZXFZCERBJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.09
Rot. Bonds3

About (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone (PubChem CID 24992835) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone
PubChem CID24992835
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone
SMILESNc1ncccc1C(=O)c1cccc(N2CCCNCC2)n1
InChIInChI=1S/C16H19N5O/c17-16-12(4-2-8-19-16)15(22)13-5-1-6-14(20-13)21-10-3-7-18-9-11-21/h1-2,4-6,8,18H,3,7,9-11H2,(H2,17,19)
InChIKeyDZBJTZXFZCERBJ-UHFFFAOYSA-N
XLogP1.09
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone (CID 24992835) is (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone is Nc1ncccc1C(=O)c1cccc(N2CCCNCC2)n1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone?
The InChIKey is DZBJTZXFZCERBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c17-16-12(4-2-8-19-16)15(22)13-5-1-6-14(20-13)21-10-3-7-18-9-11-21/h1-2,4-6,8,18H,3,7,9-11H2,(H2,17,19).
What are the key properties of (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone has a molecular weight of 297.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 24992835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).