2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide

C21H19N5O2 — CID 173147048

IUPAC2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide
SMILESNC(=O)c1ccccc1CCc1cc(-c2ccc3c(N)n[nH]c3c2)cc(=O)[nH]1
InChIInChI=1S/C21H19N5O2/c22-20-17-8-6-13(10-18(17)25-26-20)14-9-15(24-19(27)11-14)7-5-12-3-1-2-4-16(12)21(23)28/h1-4,6,8-11H,5,7H2,(H2,23,28)(H,24,27)(H3,22,25,26)
InChIKeyGDDDPUWCABKSGU-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.38
Rot. Bonds5

About 2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide

2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide (PubChem CID 173147048) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide
PubChem CID173147048
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide
SMILESNC(=O)c1ccccc1CCc1cc(-c2ccc3c(N)n[nH]c3c2)cc(=O)[nH]1
InChIInChI=1S/C21H19N5O2/c22-20-17-8-6-13(10-18(17)25-26-20)14-9-15(24-19(27)11-14)7-5-12-3-1-2-4-16(12)21(23)28/h1-4,6,8-11H,5,7H2,(H2,23,28)(H,24,27)(H3,22,25,26)
InChIKeyGDDDPUWCABKSGU-UHFFFAOYSA-N
XLogP2.38
TPSA130.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide?
The IUPAC name of 2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide (CID 173147048) is 2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide?
The canonical SMILES for 2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide is NC(=O)c1ccccc1CCc1cc(-c2ccc3c(N)n[nH]c3c2)cc(=O)[nH]1.
What is the InChIKey of 2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide?
The InChIKey is GDDDPUWCABKSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c22-20-17-8-6-13(10-18(17)25-26-20)14-9-15(24-19(27)11-14)7-5-12-3-1-2-4-16(12)21(23)28/h1-4,6,8-11H,5,7H2,(H2,23,28)(H,24,27)(H3,22,25,26).
What are the key properties of 2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide?
2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide has a molecular weight of 373.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]ethyl]benzamide is sourced from PubChem (CID 173147048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).