N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide

C19H19N5O — CID 122516322

IUPACN-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide
SMILESCC(C(=O)NC(C)(C)C#N)c1ccc2nn(-c3cccnc3)cc2c1
InChIInChI=1S/C19H19N5O/c1-13(18(25)22-19(2,3)12-20)14-6-7-17-15(9-14)11-24(23-17)16-5-4-8-21-10-16/h4-11,13H,1-3H3,(H,22,25)
InChIKeyXJGJBQOQUCKPMF-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.94
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide

N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide (PubChem CID 122516322) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide
PubChem CID122516322
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide
SMILESCC(C(=O)NC(C)(C)C#N)c1ccc2nn(-c3cccnc3)cc2c1
InChIInChI=1S/C19H19N5O/c1-13(18(25)22-19(2,3)12-20)14-6-7-17-15(9-14)11-24(23-17)16-5-4-8-21-10-16/h4-11,13H,1-3H3,(H,22,25)
InChIKeyXJGJBQOQUCKPMF-UHFFFAOYSA-N
XLogP2.94
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-pyridin-3-ylindazole
CID 121320237
2,5-dipyridin-3-ylindazole
CID 121379381
2-pyridin-3-yl-N-(pyridin-2-ylmethyl)indazole-5-carboxamide
CID 167431659
methyl 2-pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylate
CID 171491004
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
CID 90359899
N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide
CID 167254941
2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate
CID 90359834
2-(4-chlorophenyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide
CID 69260729
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-propan-2-ylsulfanylpropanamide
CID 123960951
2-pyridin-3-yl-4H-pyrazolo[4,3-b]pyridin-5-one
CID 121320233
1-(2-pyridin-3-ylindazol-4-yl)ethanone
CID 122516362
2-pyridin-3-ylpropanehydrazide
CID 116843938

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide (CID 122516322) is N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide is CC(C(=O)NC(C)(C)C#N)c1ccc2nn(-c3cccnc3)cc2c1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide?
The InChIKey is XJGJBQOQUCKPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13(18(25)22-19(2,3)12-20)14-6-7-17-15(9-14)11-24(23-17)16-5-4-8-21-10-16/h4-11,13H,1-3H3,(H,22,25).
What are the key properties of N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide?
N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide has a molecular weight of 333.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-(2-pyridin-3-ylindazol-5-yl)propanamide is sourced from PubChem (CID 122516322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).