2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C23H26N6O4 — CID 166022662

IUPAC2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCOc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3nn(C)cc3c2)cc1C(N)=O
InChIInChI=1S/C23H26N6O4/c1-13-4-7-19(14-5-6-18-15(8-14)12-28(2)27-18)29(11-13)23(32)21(31)26-16-9-17(20(24)30)22(33-3)25-10-16/h5-6,8-10,12-13,19H,4,7,11H2,1-3H3,(H2,24,30)(H,26,31)/t13-,19+/m1/s1
InChIKeyVYCVPXVBDAQMQV-YJYMSZOUSA-N
MW450.50 g/mol
LogP2.01
Rot. Bonds4

About 2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 166022662) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID166022662
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCOc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3nn(C)cc3c2)cc1C(N)=O
InChIInChI=1S/C23H26N6O4/c1-13-4-7-19(14-5-6-18-15(8-14)12-28(2)27-18)29(11-13)23(32)21(31)26-16-9-17(20(24)30)22(33-3)25-10-16/h5-6,8-10,12-13,19H,4,7,11H2,1-3H3,(H2,24,30)(H,26,31)/t13-,19+/m1/s1
InChIKeyVYCVPXVBDAQMQV-YJYMSZOUSA-N
XLogP2.01
TPSA132.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 166022662) is 2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is COc1ncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3nn(C)cc3c2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is VYCVPXVBDAQMQV-YJYMSZOUSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-13-4-7-19(14-5-6-18-15(8-14)12-28(2)27-18)29(11-13)23(32)21(31)26-16-9-17(20(24)30)22(33-3)25-10-16/h5-6,8-10,12-13,19H,4,7,11H2,1-3H3,(H2,24,30)(H,26,31)/t13-,19+/m1/s1.
What are the key properties of 2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 166022662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).