5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide

C16H20N4O3 — CID 155945095

IUPAC5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2ccc(NC(=O)CCC3CCCOC3)cc12
InChIInChI=1S/C16H20N4O3/c17-16(22)15-12-8-11(4-5-13(12)19-20-15)18-14(21)6-3-10-2-1-7-23-9-10/h4-5,8,10H,1-3,6-7,9H2,(H2,17,22)(H,18,21)(H,19,20)
InChIKeyCGYBDIYZHSMVPL-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.81
Rot. Bonds5

About 5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide

5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide (PubChem CID 155945095) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide
PubChem CID155945095
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2ccc(NC(=O)CCC3CCCOC3)cc12
InChIInChI=1S/C16H20N4O3/c17-16(22)15-12-8-11(4-5-13(12)19-20-15)18-14(21)6-3-10-2-1-7-23-9-10/h4-5,8,10H,1-3,6-7,9H2,(H2,17,22)(H,18,21)(H,19,20)
InChIKeyCGYBDIYZHSMVPL-UHFFFAOYSA-N
XLogP1.81
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-carbamoyl-1H-indazol-5-yl)carbamic acid
CID 151772440
N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide
CID 119419889
N-methyl-5-(3-methylsulfanylpropanoylamino)-1H-indazole-3-carboxamide
CID 166371212
4-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 175815050
N-(oxan-3-yl)-1H-indazole-3-carboxamide
CID 63611564
3-cyclopentyl-N-(4-oxo-3H-phthalazin-6-yl)propanamide
CID 141062047
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 131932133
1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea
CID 166522744
N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
CID 110862725
2-cyclopentyl-N-[3-(3-sulfinamoylphenyl)-1H-indazol-5-yl]acetamide
CID 123612503
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 34439811

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide (CID 155945095) is 5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide is NC(=O)c1n[nH]c2ccc(NC(=O)CCC3CCCOC3)cc12.
What is the InChIKey of 5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide?
The InChIKey is CGYBDIYZHSMVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c17-16(22)15-12-8-11(4-5-13(12)19-20-15)18-14(21)6-3-10-2-1-7-23-9-10/h4-5,8,10H,1-3,6-7,9H2,(H2,17,22)(H,18,21)(H,19,20).
What are the key properties of 5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide?
5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxan-3-yl)propanoylamino]-1H-indazole-3-carboxamide is sourced from PubChem (CID 155945095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).