N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide

C18H20N6O2 — CID 69064173

IUPACN-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3c(NC(=O)NCCN)n[nH]c3c2)c1
InChIInChI=1S/C18H20N6O2/c1-11(25)21-14-4-2-3-12(9-14)13-5-6-15-16(10-13)23-24-17(15)22-18(26)20-8-7-19/h2-6,9-10H,7-8,19H2,1H3,(H,21,25)(H3,20,22,23,24,26)
InChIKeyXFEQKAIQZNGLBP-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.27
Rot. Bonds5

About N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide

N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide (PubChem CID 69064173) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide
PubChem CID69064173
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc3c(NC(=O)NCCN)n[nH]c3c2)c1
InChIInChI=1S/C18H20N6O2/c1-11(25)21-14-4-2-3-12(9-14)13-5-6-15-16(10-13)23-24-17(15)22-18(26)20-8-7-19/h2-6,9-10H,7-8,19H2,1H3,(H,21,25)(H3,20,22,23,24,26)
InChIKeyXFEQKAIQZNGLBP-UHFFFAOYSA-N
XLogP2.27
TPSA124.93 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide
CID 69091931
1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea
CID 69064539
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide
CID 69061980
[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69060604
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69067411
1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea
CID 69069820
1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69062294
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide
CID 69065402
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69067364
2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69063668
N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide
CID 146121078

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide (CID 69064173) is N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc3c(NC(=O)NCCN)n[nH]c3c2)c1.
What is the InChIKey of N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide?
The InChIKey is XFEQKAIQZNGLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11(25)21-14-4-2-3-12(9-14)13-5-6-15-16(10-13)23-24-17(15)22-18(26)20-8-7-19/h2-6,9-10H,7-8,19H2,1H3,(H,21,25)(H3,20,22,23,24,26).
What are the key properties of N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide?
N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide has a molecular weight of 352.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide is sourced from PubChem (CID 69064173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).