N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide

C14H20N4O — CID 103123150

IUPACN-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
SMILESCC(CCCN)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H20N4O/c1-10(6-5-9-15)16-14(19)13-11-7-3-4-8-12(11)18(2)17-13/h3-4,7-8,10H,5-6,9,15H2,1-2H3,(H,16,19)
InChIKeyZBKMMUVYSPMAPL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.43
Rot. Bonds5

About N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide

N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide (PubChem CID 103123150) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
PubChem CID103123150
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
SMILESCC(CCCN)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H20N4O/c1-10(6-5-9-15)16-14(19)13-11-7-3-4-8-12(11)18(2)17-13/h3-4,7-8,10H,5-6,9,15H2,1-2H3,(H,16,19)
InChIKeyZBKMMUVYSPMAPL-UHFFFAOYSA-N
XLogP1.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
CID 106152679
N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide
CID 106141144
methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121157
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
CID 103120120
3-methyl-N-[(2S)-6-methylheptan-2-yl]-4-oxophthalazine-1-carboxamide
CID 2644365
3-methyl-N-(6-methylheptan-2-yl)-4-oxophthalazine-1-carboxamide
CID 18777449
(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
CID 107564755
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-decan-3-yl-1-methylindazole-3-carboxamide
CID 67866590
3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116350
(2R)-4-amino-2-[(1-methylindazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821571

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide (CID 103123150) is N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide is CC(CCCN)NC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide?
The InChIKey is ZBKMMUVYSPMAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(6-5-9-15)16-14(19)13-11-7-3-4-8-12(11)18(2)17-13/h3-4,7-8,10H,5-6,9,15H2,1-2H3,(H,16,19).
What are the key properties of N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide?
N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103123150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).