5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide

C13H18N4O — CID 82012714

IUPAC5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-9(7-14)2-5-13(18)16-11-4-3-10-8-15-17-12(10)6-11/h3-4,6,8-9H,2,5,7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyQJGNCNZCHXWDPR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.88
Rot. Bonds5

About 5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide

5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide (PubChem CID 82012714) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide
PubChem CID82012714
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-9(7-14)2-5-13(18)16-11-4-3-10-8-15-17-12(10)6-11/h3-4,6,8-9H,2,5,7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyQJGNCNZCHXWDPR-UHFFFAOYSA-N
XLogP1.88
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(4-ethoxyphenoxy)-N-(1H-indazol-6-yl)butanamide
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4-amino-3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)butanamide
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5-amino-4-methyl-N-quinoxalin-6-ylpentanamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide (CID 82012714) is 5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide is CC(CN)CCC(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide?
The InChIKey is QJGNCNZCHXWDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(7-14)2-5-13(18)16-11-4-3-10-8-15-17-12(10)6-11/h3-4,6,8-9H,2,5,7,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide?
5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide has a molecular weight of 246.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide is sourced from PubChem (CID 82012714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).