(2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone

C20H27N5O — CID 58367655

IUPAC(2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCc1cc(C(=O)c2cccnc2N)nc(N2CCN[C@@H](CC(C)C)C2)c1
InChIInChI=1S/C20H27N5O/c1-13(2)9-15-12-25(8-7-22-15)18-11-14(3)10-17(24-18)19(26)16-5-4-6-23-20(16)21/h4-6,10-11,13,15,22H,7-9,12H2,1-3H3,(H2,21,23)/t15-/m0/s1
InChIKeyYOSWNJPQIDFLAM-HNNXBMFYSA-N
MW353.47 g/mol
LogP2.42
Rot. Bonds5

About (2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone (PubChem CID 58367655) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
PubChem CID58367655
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCc1cc(C(=O)c2cccnc2N)nc(N2CCN[C@@H](CC(C)C)C2)c1
InChIInChI=1S/C20H27N5O/c1-13(2)9-15-12-25(8-7-22-15)18-11-14(3)10-17(24-18)19(26)16-5-4-6-23-20(16)21/h4-6,10-11,13,15,22H,7-9,12H2,1-3H3,(H2,21,23)/t15-/m0/s1
InChIKeyYOSWNJPQIDFLAM-HNNXBMFYSA-N
XLogP2.42
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.42
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)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone (CID 58367655) is (2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone is Cc1cc(C(=O)c2cccnc2N)nc(N2CCN[C@@H](CC(C)C)C2)c1.
What is the InChIKey of (2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The InChIKey is YOSWNJPQIDFLAM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13(2)9-15-12-25(8-7-22-15)18-11-14(3)10-17(24-18)19(26)16-5-4-6-23-20(16)21/h4-6,10-11,13,15,22H,7-9,12H2,1-3H3,(H2,21,23)/t15-/m0/s1.
What are the key properties of (2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.42, 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)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 58367655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).