N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide

C18H26N4O2 — CID 71301472

IUPACN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21
InChIInChI=1S/C18H26N4O2/c1-4-5-8-11-22-14-10-7-6-9-13(14)16(21-22)18(24)20-15(12(2)3)17(19)23/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H2,19,23)(H,20,24)/t15-/m0/s1
InChIKeyGIMHPAQOAAZSHS-HNNXBMFYSA-N
MW330.43 g/mol
LogP2.47
Rot. Bonds8

About N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide

N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide (PubChem CID 71301472) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide
PubChem CID71301472
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21
InChIInChI=1S/C18H26N4O2/c1-4-5-8-11-22-14-10-7-6-9-13(14)16(21-22)18(24)20-15(12(2)3)17(19)23/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H2,19,23)(H,20,24)/t15-/m0/s1
InChIKeyGIMHPAQOAAZSHS-HNNXBMFYSA-N
XLogP2.47
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide (CID 71301472) is N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide is CCCCCn1nc(C(=O)N[C@H](C(N)=O)C(C)C)c2ccccc21.
What is the InChIKey of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide?
The InChIKey is GIMHPAQOAAZSHS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-5-8-11-22-14-10-7-6-9-13(14)16(21-22)18(24)20-15(12(2)3)17(19)23/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H2,19,23)(H,20,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide?
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-pentylindazole-3-carboxamide is sourced from PubChem (CID 71301472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).