N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide

C11H13ClN4O — CID 123892807

IUPACN-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C11H13ClN4O/c1-13-6-9(17)14-11-10-7(12)4-3-5-8(10)16(2)15-11/h3-5,13H,6H2,1-2H3,(H,14,15,17)
InChIKeyOGQIKGQTKCYXCI-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.38
Rot. Bonds3

About N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide

N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide (PubChem CID 123892807) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide
PubChem CID123892807
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC NameN-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C11H13ClN4O/c1-13-6-9(17)14-11-10-7(12)4-3-5-8(10)16(2)15-11/h3-5,13H,6H2,1-2H3,(H,14,15,17)
InChIKeyOGQIKGQTKCYXCI-UHFFFAOYSA-N
XLogP1.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
CID 162635235
2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide
CID 2742954
N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine
CID 84689488
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 70783675
2-chloro-N-(4-chloro-1-methylindazol-3-yl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122617940
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide
CID 118795940
(2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444868
1-(4-chloro-1-methylindazol-3-yl)ethanamine
CID 112716436
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 119064447
(2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 126434222

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide?
The IUPAC name of N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide (CID 123892807) is N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide?
The canonical SMILES for N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide is CNCC(=O)Nc1nn(C)c2cccc(Cl)c12.
What is the InChIKey of N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide?
The InChIKey is OGQIKGQTKCYXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-13-6-9(17)14-11-10-7(12)4-3-5-8(10)16(2)15-11/h3-5,13H,6H2,1-2H3,(H,14,15,17).
What are the key properties of N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide?
N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide has a molecular weight of 252.70 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide is sourced from PubChem (CID 123892807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).