lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine

C46H52LiN10O5S2+ — CID 164953153

About lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine

lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine (PubChem CID 164953153) has the molecular formula C46H52LiN10O5S2+ and a molecular weight of 896.06 g/mol. Its IUPAC name is lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine.

Molecular Properties

• Compound Name: lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine
• PubChem CID: 164953153
• Molecular Formula: C46H52LiN10O5S2+
• Molecular Weight: 896.06 g/mol
• Exact Mass: 895.37
• IUPAC Name: lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine
• SMILES: C[C@H]1CC[C@H](c2ccc3scnc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C1.C[C@H]1CC[C@H](c2ccc3scnc3c2)N(C(=O)C(=O)O)C1.Nc1cnc(N)c(C2CC2)c1.[Li+]
• InChI: InChI=1S/C23H25N5O2S.C15H16N2O3S.C8H11N3.Li/c1-13-2-6-19(15-5-7-20-18(8-15)26-12-31-20)28(11-13)23(30)22(29)27-16-9-17(14-3-4-14)21(24)25-10-16;1-9-2-4-12(17(7-9)14(18)15(19)20)10-3-5-13-11(6-10)16-8-21-13;9-6-3-7(5-1-2-5)8(10)11-4-6;/h5,7-10,12-14,19H,2-4,6,11H2,1H3,(H2,24,25)(H,27,29);3,5-6,8-9,12H,2,4,7H2,1H3,(H,19,20);3-5H,1-2,9H2,(H2,10,11);/q;;;+1/t13-,19+;9-,12+;;/m00../s1
• InChIKey: MDBJKXNGSIDYHD-CVLUYZNFSA-N
• XLogP: 4.90
• TPSA: 236.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.06
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine?

The IUPAC name of lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine (CID 164953153) is lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine.

What is the SMILES notation for lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine?

The canonical SMILES for lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine is C[C@H]1CC[C@H](c2ccc3scnc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3CC3)c2)C1.C[C@H]1CC[C@H](c2ccc3scnc3c2)N(C(=O)C(=O)O)C1.Nc1cnc(N)c(C2CC2)c1.[Li+].

What is the InChIKey of lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine?

The InChIKey is MDBJKXNGSIDYHD-CVLUYZNFSA-N. The full InChI is InChI=1S/C23H25N5O2S.C15H16N2O3S.C8H11N3.Li/c1-13-2-6-19(15-5-7-20-18(8-15)26-12-31-20)28(11-13)23(30)22(29)27-16-9-17(14-3-4-14)21(24)25-10-16;1-9-2-4-12(17(7-9)14(18)15(19)20)10-3-5-13-11(6-10)16-8-21-13;9-6-3-7(5-1-2-5)8(10)11-4-6;/h5,7-10,12-14,19H,2-4,6,11H2,1H3,(H2,24,25)(H,27,29);3,5-6,8-9,12H,2,4,7H2,1H3,(H,19,20);3-5H,1-2,9H2,(H2,10,11);/q;;;+1/t13-,19+;9-,12+;;/m00../s1.

What are the key properties of lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine?

lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine has a molecular weight of 896.06 g/mol, XLogP of 4.90, 5 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetic acid;3-cyclopropylpyridine-2,5-diamine is sourced from PubChem (CID 164953153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).