N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide

C21H20N6O3 — CID 155588700

IUPACN-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(NC(=O)Cc3ccc4cn[nH]c4c3)ccn2)CCOCC1
InChIInChI=1S/C21H20N6O3/c22-13-21(4-7-30-8-5-21)26-20(29)18-11-16(3-6-23-18)25-19(28)10-14-1-2-15-12-24-27-17(15)9-14/h1-3,6,9,11-12H,4-5,7-8,10H2,(H,24,27)(H,26,29)(H,23,25,28)
InChIKeyBXYILOLAZBQUJZ-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.94
Rot. Bonds5

About N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide

N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 155588700) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
PubChem CID155588700
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC NameN-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(NC(=O)Cc3ccc4cn[nH]c4c3)ccn2)CCOCC1
InChIInChI=1S/C21H20N6O3/c22-13-21(4-7-30-8-5-21)26-20(29)18-11-16(3-6-23-18)25-19(28)10-14-1-2-15-12-24-27-17(15)9-14/h1-3,6,9,11-12H,4-5,7-8,10H2,(H,24,27)(H,26,29)(H,23,25,28)
InChIKeyBXYILOLAZBQUJZ-UHFFFAOYSA-N
XLogP1.94
TPSA132.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide (CID 155588700) is N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide is N#CC1(NC(=O)c2cc(NC(=O)Cc3ccc4cn[nH]c4c3)ccn2)CCOCC1.
What is the InChIKey of N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is BXYILOLAZBQUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c22-13-21(4-7-30-8-5-21)26-20(29)18-11-16(3-6-23-18)25-19(28)10-14-1-2-15-12-24-27-17(15)9-14/h1-3,6,9,11-12H,4-5,7-8,10H2,(H,24,27)(H,26,29)(H,23,25,28).
What are the key properties of N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanooxan-4-yl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 155588700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).