N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide

C16H24N4O — CID 106141144

IUPACN-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCC(C)(C)CCCN)c2ccccc21
InChIInChI=1S/C16H24N4O/c1-16(2,9-6-10-17)11-18-15(21)14-12-7-4-5-8-13(12)20(3)19-14/h4-5,7-8H,6,9-11,17H2,1-3H3,(H,18,21)
InChIKeyPRDNBXBMXTUWAY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.07
Rot. Bonds6

About N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide

N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide (PubChem CID 106141144) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide
PubChem CID106141144
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCC(C)(C)CCCN)c2ccccc21
InChIInChI=1S/C16H24N4O/c1-16(2,9-6-10-17)11-18-15(21)14-12-7-4-5-8-13(12)20(3)19-14/h4-5,7-8H,6,9-11,17H2,1-3H3,(H,18,21)
InChIKeyPRDNBXBMXTUWAY-UHFFFAOYSA-N
XLogP2.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)-1-methylindazole-3-carboxamide
CID 103122780
N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
CID 103123150
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide
CID 106168249
N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide
CID 114148938
N-(1-chloro-2-methylbutan-2-yl)-1-methylindazole-3-carboxamide
CID 103122622
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide (CID 106141144) is N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NCC(C)(C)CCCN)c2ccccc21.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide?
The InChIKey is PRDNBXBMXTUWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-16(2,9-6-10-17)11-18-15(21)14-12-7-4-5-8-13(12)20(3)19-14/h4-5,7-8H,6,9-11,17H2,1-3H3,(H,18,21).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide?
N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 106141144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).