(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone

C19H25N5O — CID 24993483

IUPAC(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCC(C)C[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C19H25N5O/c1-13(2)11-14-12-24(10-9-21-14)17-7-3-6-16(23-17)18(25)15-5-4-8-22-19(15)20/h3-8,13-14,21H,9-12H2,1-2H3,(H2,20,22)/t14-/m0/s1
InChIKeyVVHIKEQUOUROGD-AWEZNQCLSA-N
MW339.44 g/mol
LogP2.11
Rot. Bonds5

About (2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone (PubChem CID 24993483) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
PubChem CID24993483
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCC(C)C[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C19H25N5O/c1-13(2)11-14-12-24(10-9-21-14)17-7-3-6-16(23-17)18(25)15-5-4-8-22-19(15)20/h3-8,13-14,21H,9-12H2,1-2H3,(H2,20,22)/t14-/m0/s1
InChIKeyVVHIKEQUOUROGD-AWEZNQCLSA-N
XLogP2.11
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.11
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-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone (CID 24993483) is (2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone is CC(C)C[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The InChIKey is VVHIKEQUOUROGD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(2)11-14-12-24(10-9-21-14)17-7-3-6-16(23-17)18(25)15-5-4-8-22-19(15)20/h3-8,13-14,21H,9-12H2,1-2H3,(H2,20,22)/t14-/m0/s1.
What are the key properties of (2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.11, 5 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-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 24993483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).