5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C21H26N6O3 — CID 167034014

IUPAC5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESC[C@@H]1CCC(C2CCc3[nH]ncc3C2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1
InChIInChI=1S/C21H26N6O3/c1-12-2-5-18(13-3-4-17-14(6-13)9-24-26-17)27(11-12)21(30)20(29)25-16-7-15(19(22)28)8-23-10-16/h7-10,12-13,18H,2-6,11H2,1H3,(H2,22,28)(H,24,26)(H,25,29)/t12-,13?,18?/m1/s1
InChIKeyXGHJPEPUJWCQIX-WHENESEISA-N
MW410.48 g/mol
LogP1.27
Rot. Bonds3

About 5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 167034014) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID167034014
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESC[C@@H]1CCC(C2CCc3[nH]ncc3C2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1
InChIInChI=1S/C21H26N6O3/c1-12-2-5-18(13-3-4-17-14(6-13)9-24-26-17)27(11-12)21(30)20(29)25-16-7-15(19(22)28)8-23-10-16/h7-10,12-13,18H,2-6,11H2,1H3,(H2,22,28)(H,24,26)(H,25,29)/t12-,13?,18?/m1/s1
InChIKeyXGHJPEPUJWCQIX-WHENESEISA-N
XLogP1.27
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 167034014) is 5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is C[C@@H]1CCC(C2CCc3[nH]ncc3C2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.
What is the InChIKey of 5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is XGHJPEPUJWCQIX-WHENESEISA-N. The full InChI is InChI=1S/C21H26N6O3/c1-12-2-5-18(13-3-4-17-14(6-13)9-24-26-17)27(11-12)21(30)20(29)25-16-7-15(19(22)28)8-23-10-16/h7-10,12-13,18H,2-6,11H2,1H3,(H2,22,28)(H,24,26)(H,25,29)/t12-,13?,18?/m1/s1.
What are the key properties of 5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(5R)-5-methyl-2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167034014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).