[(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium

C22H29N6O3+ — CID 144616287

About [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium

[(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium (PubChem CID 144616287) has the molecular formula C22H29N6O3+ and a molecular weight of 425.51 g/mol. Its IUPAC name is [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium.

Molecular Properties

• Compound Name: [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium
• PubChem CID: 144616287
• Molecular Formula: C22H29N6O3+
• Molecular Weight: 425.51 g/mol
• Exact Mass: 425.23
• IUPAC Name: [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium
• SMILES: COc1ccc(C(=O)N2C[C@H](Oc3nccc(N)c3C)CC[C@H]2C)c(/C(C=[NH2+])=C/N)n1
• InChI: InChI=1S/C22H28N6O3/c1-13-4-5-16(31-21-14(2)18(25)8-9-26-21)12-28(13)22(29)17-6-7-19(30-3)27-20(17)15(10-23)11-24/h6-11,13,16,23H,4-5,12,24H2,1-3H3,(H2,25,26)/p+1/b15-11+,23-10?/t13-,16-/m1/s1
• InChIKey: UYLRVDDMFMJBJJ-IUPCVXBFSA-O
• XLogP: 0.58
• TPSA: 142.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.51
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium?

The IUPAC name of [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium (CID 144616287) is [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium.

What is the SMILES notation for [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium?

The canonical SMILES for [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium is COc1ccc(C(=O)N2C[C@H](Oc3nccc(N)c3C)CC[C@H]2C)c(/C(C=[NH2+])=C/N)n1.

What is the InChIKey of [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium?

The InChIKey is UYLRVDDMFMJBJJ-IUPCVXBFSA-O. The full InChI is InChI=1S/C22H28N6O3/c1-13-4-5-16(31-21-14(2)18(25)8-9-26-21)12-28(13)22(29)17-6-7-19(30-3)27-20(17)15(10-23)11-24/h6-11,13,16,23H,4-5,12,24H2,1-3H3,(H2,25,26)/p+1/b15-11+,23-10?/t13-,16-/m1/s1.

What are the key properties of [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium?

[(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium has a molecular weight of 425.51 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-3-amino-2-[3-[(2R,5R)-5-[(4-amino-3-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-methoxy-2-pyridinyl]prop-2-enylidene]azanium is sourced from PubChem (CID 144616287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).