N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide

C18H20N4O — CID 52768641

IUPACN-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide
SMILESCCCN(CCc1ccccn1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H20N4O/c1-2-12-22(13-10-14-7-5-6-11-19-14)18(23)17-15-8-3-4-9-16(15)20-21-17/h3-9,11H,2,10,12-13H2,1H3,(H,20,21)
InChIKeyYGUQCADXWJSHIJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.05
Rot. Bonds6

About N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide

N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide (PubChem CID 52768641) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide
PubChem CID52768641
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide
SMILESCCCN(CCc1ccccn1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H20N4O/c1-2-12-22(13-10-14-7-5-6-11-19-14)18(23)17-15-8-3-4-9-16(15)20-21-17/h3-9,11H,2,10,12-13H2,1H3,(H,20,21)
InChIKeyYGUQCADXWJSHIJ-UHFFFAOYSA-N
XLogP3.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide
CID 60608504
N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 50948881
N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide
CID 111122221
4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
CID 86873559
N-methyl-N-pyridin-2-yl-1H-indazole-3-carboxamide
CID 64983096
[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288074
N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 60590914
3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
CID 122019003
4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide
CID 49031326
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230
2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
CID 114289646

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide (CID 52768641) is N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide is CCCN(CCc1ccccn1)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide?
The InChIKey is YGUQCADXWJSHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-12-22(13-10-14-7-5-6-11-19-14)18(23)17-15-8-3-4-9-16(15)20-21-17/h3-9,11H,2,10,12-13H2,1H3,(H,20,21).
What are the key properties of N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide?
N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 52768641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).