N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide

C19H20N4O2 — CID 174835213

IUPACN-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCC(C=O)C(C)CNC(=O)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C19H20N4O2/c1-12(13(2)11-24)9-21-19(25)18-16-8-14(5-6-17(16)22-23-18)15-4-3-7-20-10-15/h3-8,10-13H,9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyKWJVVASYVCVDKL-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.83
Rot. Bonds6

About N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 174835213) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID174835213
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCC(C=O)C(C)CNC(=O)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C19H20N4O2/c1-12(13(2)11-24)9-21-19(25)18-16-8-14(5-6-17(16)22-23-18)15-4-3-7-20-10-15/h3-8,10-13H,9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyKWJVVASYVCVDKL-UHFFFAOYSA-N
XLogP2.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118382047
N-(oxan-4-ylmethyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 146241690
N-(6-propan-2-yloxy-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118382344
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123214472
N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381215
N-(4-cyanophenyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89459269
5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 118382105
N-[(3S,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381227
N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 166774202
N-[(2R)-2-phenylcyclopropyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118390891
N-(2,3-dihydropyrazin-2-yl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89451247
5-pyridin-3-yl-1H-indazol-3-amine
CID 59023862

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 174835213) is N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide is CC(C=O)C(C)CNC(=O)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is KWJVVASYVCVDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(13(2)11-24)9-21-19(25)18-16-8-14(5-6-17(16)22-23-18)15-4-3-7-20-10-15/h3-8,10-13H,9H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 174835213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).