3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide

C19H16N6O — CID 172571056

IUPAC3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1
InChIInChI=1S/C19H16N6O/c20-18-15-9-11(4-5-16(15)24-25-18)12-6-7-22-17(10-12)23-14-3-1-2-13(8-14)19(21)26/h1-10H,(H2,21,26)(H,22,23)(H3,20,24,25)
InChIKeyCEWLRRKIXJODQK-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.05
Rot. Bonds4

About 3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide

3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide (PubChem CID 172571056) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide
PubChem CID172571056
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1
InChIInChI=1S/C19H16N6O/c20-18-15-9-11(4-5-16(15)24-25-18)12-6-7-22-17(10-12)23-14-3-1-2-13(8-14)19(21)26/h1-10H,(H2,21,26)(H,22,23)(H3,20,24,25)
InChIKeyCEWLRRKIXJODQK-UHFFFAOYSA-N
XLogP3.05
TPSA122.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide?
The IUPAC name of 3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide (CID 172571056) is 3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide.
What is the SMILES notation for 3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide?
The canonical SMILES for 3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide is NC(=O)c1cccc(Nc2cc(-c3ccc4[nH]nc(N)c4c3)ccn2)c1.
What is the InChIKey of 3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide?
The InChIKey is CEWLRRKIXJODQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c20-18-15-9-11(4-5-16(15)24-25-18)12-6-7-22-17(10-12)23-14-3-1-2-13(8-14)19(21)26/h1-10H,(H2,21,26)(H,22,23)(H3,20,24,25).
What are the key properties of 3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide?
3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide has a molecular weight of 344.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 172571056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).