N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide

C19H26N4O2 — CID 162705324

IUPACN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide
SMILESC=CCCCn1nc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C19H26N4O2/c1-5-6-9-12-23-14-11-8-7-10-13(14)15(22-23)18(25)21-16(17(20)24)19(2,3)4/h5,7-8,10-11,16H,1,6,9,12H2,2-4H3,(H2,20,24)(H,21,25)
InChIKeyNXDLAZXBALPFSN-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.63
Rot. Bonds7

About N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide (PubChem CID 162705324) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide
PubChem CID162705324
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide
SMILESC=CCCCn1nc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C19H26N4O2/c1-5-6-9-12-23-14-11-8-7-10-13(14)15(22-23)18(25)21-16(17(20)24)19(2,3)4/h5,7-8,10-11,16H,1,6,9,12H2,2-4H3,(H2,20,24)(H,21,25)
InChIKeyNXDLAZXBALPFSN-UHFFFAOYSA-N
XLogP2.63
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide (CID 162705324) is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide is C=CCCCn1nc(C(=O)NC(C(N)=O)C(C)(C)C)c2ccccc21.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide?
The InChIKey is NXDLAZXBALPFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-6-9-12-23-14-11-8-7-10-13(14)15(22-23)18(25)21-16(17(20)24)19(2,3)4/h5,7-8,10-11,16H,1,6,9,12H2,2-4H3,(H2,20,24)(H,21,25).
What are the key properties of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide?
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide is sourced from PubChem (CID 162705324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).