N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide

C16H16N4O — CID 66418442

IUPACN-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cccc2[nH]ncc12
InChIInChI=1S/C16H16N4O/c1-11(21)19-14-6-3-2-5-12(14)9-17-15-7-4-8-16-13(15)10-18-20-16/h2-8,10,17H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyRKHPDRFPSSBQDL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.13
Rot. Bonds4

About N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide

N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide (PubChem CID 66418442) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide
PubChem CID66418442
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cccc2[nH]ncc12
InChIInChI=1S/C16H16N4O/c1-11(21)19-14-6-3-2-5-12(14)9-17-15-7-4-8-16-13(15)10-18-20-16/h2-8,10,17H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyRKHPDRFPSSBQDL-UHFFFAOYSA-N
XLogP3.13
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol
CID 112606607
N-(1H-indol-3-ylmethyl)-1H-indazol-4-amine
CID 62325226
2-(2-aminophenyl)-N-(1H-indazol-4-yl)acetamide
CID 61117193
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-(1H-indazol-4-yl)propanamide
CID 61035756
N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide
CID 66386649
2-[2-[(1H-indazol-4-ylamino)methyl]phenoxy]acetonitrile
CID 60931750
N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine
CID 54865666
2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide
CID 76887328
2-(dimethylamino)-N-(1H-indazol-4-yl)acetamide
CID 110479732
N-(1H-indazol-4-ylmethyl)aniline
CID 91506728
N-(1H-indazol-4-yl)pentanamide
CID 110479421

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide (CID 66418442) is N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNc1cccc2[nH]ncc12.
What is the InChIKey of N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide?
The InChIKey is RKHPDRFPSSBQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(21)19-14-6-3-2-5-12(14)9-17-15-7-4-8-16-13(15)10-18-20-16/h2-8,10,17H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide?
N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 66418442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).