N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide

C19H21N5O2 — CID 69091931

IUPACN-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1n[nH]c2cc(-c3ccc(C)cc3)ccc12
InChIInChI=1S/C19H21N5O2/c1-12-3-5-14(6-4-12)15-7-8-16-17(11-15)23-24-18(16)22-19(26)21-10-9-20-13(2)25/h3-8,11H,9-10H2,1-2H3,(H,20,25)(H3,21,22,23,24,26)
InChIKeyFVZNBQQHZFCDSB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.80
Rot. Bonds5

About N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide

N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide (PubChem CID 69091931) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide
PubChem CID69091931
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1n[nH]c2cc(-c3ccc(C)cc3)ccc12
InChIInChI=1S/C19H21N5O2/c1-12-3-5-14(6-4-12)15-7-8-16-17(11-15)23-24-18(16)22-19(26)21-10-9-20-13(2)25/h3-8,11H,9-10H2,1-2H3,(H,20,25)(H3,21,22,23,24,26)
InChIKeyFVZNBQQHZFCDSB-UHFFFAOYSA-N
XLogP2.80
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropyl)-3-[6-(4-methylphenyl)-1H-indazol-3-yl]urea
CID 69064539
N-[3-[3-(2-aminoethylcarbamoylamino)-1H-indazol-6-yl]phenyl]acetamide
CID 69064173
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide
CID 69065402
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69067411
2-cyclopentyl-N-[6-(4-methylphenyl)-1H-indazol-3-yl]acetamide
CID 69061785
1-(cyclopropylmethyl)-3-[6-(4-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69061513
1-(3-hydroxypropyl)-3-(6-thiophen-3-yl-1H-indazol-3-yl)urea
CID 69069820
N-[6-(4-methylphenyl)-1H-indazol-3-yl]piperidine-1-carboxamide
CID 69064183
N-[6-(4-methylphenyl)-1H-indazol-3-yl]piperazine-1-carboxamide
CID 69063807
2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide
CID 87678347
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide (CID 69091931) is N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)Nc1n[nH]c2cc(-c3ccc(C)cc3)ccc12.
What is the InChIKey of N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide?
The InChIKey is FVZNBQQHZFCDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-3-5-14(6-4-12)15-7-8-16-17(11-15)23-24-18(16)22-19(26)21-10-9-20-13(2)25/h3-8,11H,9-10H2,1-2H3,(H,20,25)(H3,21,22,23,24,26).
What are the key properties of N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide?
N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(4-methylphenyl)-1H-indazol-3-yl]carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 69091931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).