(2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone

C17H21N5O — CID 67739531

IUPAC(2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone
SMILESC[C@@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)[C@H](C)CN1
InChIInChI=1S/C17H21N5O/c1-11-10-22(12(2)9-20-11)15-7-3-6-14(21-15)16(23)13-5-4-8-19-17(13)18/h3-8,11-12,20H,9-10H2,1-2H3,(H2,18,19)/t11-,12-/m1/s1
InChIKeyZNQSVNJYKCEAHB-VXGBXAGGSA-N
MW311.39 g/mol
LogP1.48
Rot. Bonds3

About (2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone (PubChem CID 67739531) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone
PubChem CID67739531
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone
SMILESC[C@@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)[C@H](C)CN1
InChIInChI=1S/C17H21N5O/c1-11-10-22(12(2)9-20-11)15-7-3-6-14(21-15)16(23)13-5-4-8-19-17(13)18/h3-8,11-12,20H,9-10H2,1-2H3,(H2,18,19)/t11-,12-/m1/s1
InChIKeyZNQSVNJYKCEAHB-VXGBXAGGSA-N
XLogP1.48
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.48
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-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone (CID 67739531) is (2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone is C[C@@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)[C@H](C)CN1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone?
The InChIKey is ZNQSVNJYKCEAHB-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-10-22(12(2)9-20-11)15-7-3-6-14(21-15)16(23)13-5-4-8-19-17(13)18/h3-8,11-12,20H,9-10H2,1-2H3,(H2,18,19)/t11-,12-/m1/s1.
What are the key properties of (2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone has a molecular weight of 311.39 g/mol, XLogP of 1.48, 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-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 67739531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).