5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C22H24N6O3 — CID 164752513

IUPAC5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](c2ccc3cnn(C)c3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1
InChIInChI=1S/C22H24N6O3/c1-13-3-6-18(14-4-5-15-10-25-27(2)19(15)8-14)28(12-13)22(31)21(30)26-17-7-16(20(23)29)9-24-11-17/h4-5,7-11,13,18H,3,6,12H2,1-2H3,(H2,23,29)(H,26,30)/t13-,18+/m1/s1
InChIKeySWFWTGJNQURQAC-ACJLOTCBSA-N
MW420.47 g/mol
LogP2.01
Rot. Bonds3

About 5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 164752513) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID164752513
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](c2ccc3cnn(C)c3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1
InChIInChI=1S/C22H24N6O3/c1-13-3-6-18(14-4-5-15-10-25-27(2)19(15)8-14)28(12-13)22(31)21(30)26-17-7-16(20(23)29)9-24-11-17/h4-5,7-11,13,18H,3,6,12H2,1-2H3,(H2,23,29)(H,26,30)/t13-,18+/m1/s1
InChIKeySWFWTGJNQURQAC-ACJLOTCBSA-N
XLogP2.01
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 164752513) is 5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is C[C@@H]1CC[C@@H](c2ccc3cnn(C)c3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.
What is the InChIKey of 5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is SWFWTGJNQURQAC-ACJLOTCBSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13-3-6-18(14-4-5-15-10-25-27(2)19(15)8-14)28(12-13)22(31)21(30)26-17-7-16(20(23)29)9-24-11-17/h4-5,7-11,13,18H,3,6,12H2,1-2H3,(H2,23,29)(H,26,30)/t13-,18+/m1/s1.
What are the key properties of 5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2S,5R)-5-methyl-2-(1-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164752513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).